Lot numbers can be found on the outside label of a product:
1-Cyclopropyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
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CAS No. 93107-30-3
- Cat. No. CS-W002812
- Purity≥98%
- MDL No.MFCD01646375
*For research and further manufacturing use only, not for direct human use.
Structure of 93107-30-3
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General Information
- CAS No. 93107-30-3
- Cat. No. CS-W002812
- Purity ≥98%
- MDL No. MFCD01646375
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₃H₉F₂NO₃
- Molecular Weight 265.21
- Synonym(s) 1-Cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acid
- SMILES FC1=CC(C(C(C(O)=O)=CN2C3CC3)=O)=C2C=C1F
Description
1-Cyclopropyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid features a rigid quinoline core with strategically positioned fluorine atoms enhancing membrane permeability and metabolic stability. The cyclopropyl group at C-1 imparts conformational constraint, while the carboxylic acid at C-3 enables direct conjugation or derivatization in medicinal chemistry campaigns targeting Gram-negative pathogens.
Application
1-Cyclopropyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid serves as a key scaffold in medicinal chemistry, enabling the synthesis of fluoroquinolone-based bioactive molecules. Its difluorinated core enhances metabolic stability and membrane permeability, while the carboxylic acid group facilitates conjugation via amide or ester linkages. The cyclopropyl substitution improves target binding affinity and overall pharmacokinetic profile. This compound exhibits bench stability and compatibility with standard peptide coupling and heterocyclic functionalization protocols, making it a practical building block for API development and analog library synthesis.
Synthesis
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Route1
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In-stock
98349-25-8 - ~98%
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In-stock
93107-30-3
References
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Grohe, Klaus; Heitzer, Helmut Liebigs Annalen der Chemie, 1987 , p. 29 - 37
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Route2
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In-stock
82419-36-1 - ~%
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In-stock
93107-30-3
References
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US5703231 A1, ;
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Route3
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127371-54-4 - ~85%
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In-stock
93107-30-3
References
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Hong, Wan Pyo; Lee, Kee-Jung Synthesis, 2006 , # 6 p. 963 - 968
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS07
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Signal Word : Warning
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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Hazard Statements : H302-H315-H319-H335
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Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 59.3
- LogP 2.3128
- H_Acceptors 3
- H_Donors 1
- Rotatable_Bonds 2
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Key Words
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