2-((Z)-2-Carbamoyl-2-cyano-vinylamino)-benzoic acid
TL;DR: 2-((Z)-2-Carbamoyl-2-cyano-vinylamino)-benzoic acid (CAS 104867-47-2) is a chemical compound with molecular formula C11H9N3O3 and molecular weight 231.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(Z)-3-amino-2-cyano-3-oxoprop-1-enyl]amino]benzoic acid
Also Known As: 2-[(2-carbamoyl-2-cyano-ethenyl)amino]benzoic Acid, 2-((Z)-2-Carbamoyl-2-cyano-vinylamino)-benzoic acid, 2-[[(Z)-3-amino-2-cyano-3-oxoprop-1-enyl]amino]benzoic acid, (Z)-2-((3-amino-2-cyano-3-oxoprop-1-en-1-yl)amino)benzoic acid, 2-{[(1Z)-3-amino-2-cyano-3-oxoprop-1-en-1-yl]amino}benzoic acid
| Molecular Formula | C11H9N3O3 |
|---|---|
| Molecular Weight | 231.06 g/mol |
| LogP | 0.68948 |
| Topological Polar Surface Area | 116.21 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 231.06439 |
| Heavy Atoms | 17 |
| Complexity | 529.00836 |
Chemical Identifiers
| CAS Number | 104867-47-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)N/C=C(/C#N)\C(=O)N |
Product Overview
2-((Z)-2-Carbamoyl-2-cyano-vinylamino)-benzoic acid (CAS 104867-47-2), with molecular formula C11H9N3O3 and molecular weight 231.06 g/mol. IUPAC: 2-[[(Z)-3-amino-2-cyano-3-oxoprop-1-enyl]amino]benzoic acid.
Chemical Property Profile of 2-((Z)-2-Carbamoyl-2-cyano-vinylamino)-benzoic acid
Property Insights of 2-((Z)-2-Carbamoyl-2-cyano-vinylamino)-benzoic acid
The XLogP value of 0.68948 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((Z)-2-Carbamoyl-2-cyano-vinylamino)-benzoic acid. The TPSA of 116.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((Z)-2-Carbamoyl-2-cyano-vinylamino)-benzoic acid. Following Lipinski's Rule of Five, 2-((Z)-2-Carbamoyl-2-cyano-vinylamino)-benzoic acid has 3 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-((Z)-2-Carbamoyl-2-cyano-vinylamino)-benzoic acid?
The CAS number of 2-((Z)-2-Carbamoyl-2-cyano-vinylamino)-benzoic acid is 104867-47-2.
What is the molecular formula of 2-((Z)-2-Carbamoyl-2-cyano-vinylamino)-benzoic acid?
The molecular formula of 2-((Z)-2-Carbamoyl-2-cyano-vinylamino)-benzoic acid is C11H9N3O3.
What is the molecular weight of 2-((Z)-2-Carbamoyl-2-cyano-vinylamino)-benzoic acid?
The molecular weight of 2-((Z)-2-Carbamoyl-2-cyano-vinylamino)-benzoic acid is 231.06 g/mol.
Where can I buy 2-((Z)-2-Carbamoyl-2-cyano-vinylamino)-benzoic acid?
You can request a quote for 2-((Z)-2-Carbamoyl-2-cyano-vinylamino)-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-((Z)-2-Carbamoyl-2-cyano-vinylamino)-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((Z)-2-Carbamoyl-2-cyano-vinylamino)-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.