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CS-W001157 4
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(R)-2-Amino-3-cyano-4-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-4-carboxylic acid

  • CAS No. 2938170-12-6

  • Cat. No. CS-0881683
  • Molecule weight236.29
  • Purity≥98%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

(R)-2-Amino-3-cyano-4-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-4-carboxylic acid|CS-0881683

Structure of 2938170-12-6

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General Information

  • CAS No. 2938170-12-6
  • Cat. No. CS-0881683
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₂N₂O₂S
  • Molecular Weight 236.29
  • Synonym(s) None
  • SMILES O=C([C@]1(C)CCCC2=C1C(C#N)=C(N)S2)O

Description

This chiral tetrahydrobenzo[b]thiophene scaffold features a strategically positioned amino, cyano, and carboxylic acid functional group set, enabling direct incorporation into peptidomimetic architectures. The (R)-configuration imparts defined stereochemical control for targeted biological interactions, while the fused heterocyclic core offers enhanced metabolic stability and favorable solubility profiles under standard bench conditions.

Application

(R)-2-Amino-3-cyano-4-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-4-carboxylic acid serves as a versatile chiral building block for heterocyclic scaffolds in medicinal chemistry. Its well-defined stereochemistry and complementary functional groups—amino, cyano, carboxylic acid, and methyl—enable diverse transformations including amidation, cyclization, and metal-catalyzed coupling reactions. The compound exhibits bench stability and facilitates efficient purification, making it suitable for scalable synthesis of bioactive intermediates and API candidates.

Safety Information

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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

Quality Control

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Computational Chemistry Data

  • TPSA   87.11
  • LogP   1.88058
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   1

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