![2-[(2-Cyanoethyl)amino]benzoic acid structure](/static/products/6309/6309-53-1.webp)
2-[(2-Cyanoethyl)amino]benzoic acid
TL;DR: 2-[(2-Cyanoethyl)amino]benzoic acid (CAS 6309-53-1) is a chemical compound with molecular formula C10H10N2O2 and molecular weight 190.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-cyanoethylamino)benzoic acid
Also Known As: 2-[(2-cyanoethyl)amino]benzoic acid, 2-(2-cyanoethylamino)benzoic acid, Benzoicacid,2-[ amino]-, Benzoic acid,2-[(2-cyanoethyl)amino]-, N-(2-Cyanoethyl)anthanilic acid
| Molecular Formula | C10H10N2O2 |
|---|---|
| Molecular Weight | 190.07 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 73.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 190.07423 |
| Heavy Atoms | 14 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 6309-53-1 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)NCCC#N |
| InChIKey | OHJGTMYUTVYOQY-UHFFFAOYSA-N |
Product Overview
2-[(2-Cyanoethyl)amino]benzoic acid (CAS 6309-53-1), with molecular formula C10H10N2O2 and molecular weight 190.07 g/mol. IUPAC: 2-(2-cyanoethylamino)benzoic acid.
Chemical Property Profile of 2-[(2-Cyanoethyl)amino]benzoic acid
Property Insights of 2-[(2-Cyanoethyl)amino]benzoic acid
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(2-Cyanoethyl)amino]benzoic acid. The TPSA of 73.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2-Cyanoethyl)amino]benzoic acid. Following Lipinski's Rule of Five, 2-[(2-Cyanoethyl)amino]benzoic acid has 2 hydrogen bond donor(s) and 4 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-Cyanoethyl)amino]benzoic acid?
The CAS number of 2-[(2-Cyanoethyl)amino]benzoic acid is 6309-53-1.
What is the molecular formula of 2-[(2-Cyanoethyl)amino]benzoic acid?
The molecular formula of 2-[(2-Cyanoethyl)amino]benzoic acid is C10H10N2O2.
What is the molecular weight of 2-[(2-Cyanoethyl)amino]benzoic acid?
The molecular weight of 2-[(2-Cyanoethyl)amino]benzoic acid is 190.07 g/mol.
Where can I buy 2-[(2-Cyanoethyl)amino]benzoic acid?
You can request a quote for 2-[(2-Cyanoethyl)amino]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-Cyanoethyl)amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-Cyanoethyl)amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.