Canagliflozin impurity 20

Name: Canagliflozin impurity 20
Brand: ChemScene
Availability: InStock
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CAS No. 883500-51-4
Cat. No. CS-W021404
Purity≥97%
MDL No.MFCD04115861

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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Structure of 883500-51-4

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General Information

CAS No. 883500-51-4
Cat. No. CS-W021404
Purity ≥97%
MDL No. MFCD04115861
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₆ClFO₂
Molecular Weight 188.59
Synonym(s) None
SMILES O=C(O)CC1=CC=C(Cl)C(F)=C1

Description

This acetic acid derivative features a 4-chloro-3-fluorophenyl group that enhances lipophilicity and metabolic stability. The carboxylic acid functionality enables direct conjugation or derivatization in synthetic routes. This scaffold serves as a key building block in medicinal chemistry for targeted kinase inhibitors and bioactive molecule synthesis, particularly where halogenated aromatic systems improve binding affinity and cellular penetration.

Application

2-(4-Chloro-3-fluorophenyl)acetic acid serves as a versatile building block in medicinal chemistry, enabling the synthesis of bioactive compounds through standard carboxylic acid transformations. Its ortho-halogenated aromatic core provides enhanced metabolic stability and facilitates downstream coupling reactions. The molecule exhibits excellent bench stability, ease of purification, and compatibility with diverse functional groups, making it ideal for use in API development and heterocyclic scaffold construction.

Synthesis

Route1
- In-stock
  
  251570-03-3
- ~77%
- In-stock
  
  883500-51-4
References
- AVEXA LIMITED; DEADMAN, John, Joseph; JONES, Eric, Dale; LE, Giang Thanh; RHODES, David, Ian; THIENTHONG, Neeranat; VAN DE GRAFF, Nicholas, Andrew; WINFIELD, Lisa, Jane Patent: WO2010/30 A1, 2010 ; Location in patent: Page/Page column 48 ;

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
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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Computational Chemistry Data

TPSA 37.3
LogP 2.1062
H_Acceptors 1
H_Donors 1
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Functional Group Carboxylic Acid

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

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Canagliflozin impurity 20

CAS No. 883500-51-4

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