2-(2-Cyanoacetamido)benzoic acid
TL;DR: 2-(2-Cyanoacetamido)benzoic acid (CAS 87613-40-9) is a chemical compound with molecular formula C10H8N2O3 and molecular weight 204.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-cyanoacetyl)amino]benzoic acid
Also Known As: 2-(2-cyanoacetamido)benzoic acid, 2-(2-Cyano-acetylamino)-benzoic acid, 2-[(2-cyanoacetyl)amino]benzoic acid, 2-(2-cyanoacetamido)benzoicacid, 2-[(Cyanoacetyl)amino]benzoic acid
| Molecular Formula | C10H8N2O3 |
|---|---|
| Molecular Weight | 204.05 g/mol |
| LogP | 1.23698 |
| Topological Polar Surface Area | 90.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 204.0535 |
| Heavy Atoms | 15 |
| Complexity | 434.5388 |
Chemical Identifiers
| CAS Number | 87613-40-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)NC(=O)CC#N |
Product Overview
2-(2-Cyanoacetamido)benzoic acid (CAS 87613-40-9), with molecular formula C10H8N2O3 and molecular weight 204.05 g/mol. IUPAC: 2-[(2-cyanoacetyl)amino]benzoic acid.
Chemical Property Profile of 2-(2-Cyanoacetamido)benzoic acid
Property Insights of 2-(2-Cyanoacetamido)benzoic acid
The XLogP value of 1.23698 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Cyanoacetamido)benzoic acid. The TPSA of 90.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Cyanoacetamido)benzoic acid. Following Lipinski's Rule of Five, 2-(2-Cyanoacetamido)benzoic acid has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(2-Cyanoacetamido)benzoic acid?
The CAS number of 2-(2-Cyanoacetamido)benzoic acid is 87613-40-9.
What is the molecular formula of 2-(2-Cyanoacetamido)benzoic acid?
The molecular formula of 2-(2-Cyanoacetamido)benzoic acid is C10H8N2O3.
What is the molecular weight of 2-(2-Cyanoacetamido)benzoic acid?
The molecular weight of 2-(2-Cyanoacetamido)benzoic acid is 204.05 g/mol.
Where can I buy 2-(2-Cyanoacetamido)benzoic acid?
You can request a quote for 2-(2-Cyanoacetamido)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Cyanoacetamido)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Cyanoacetamido)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.