2-(2,2-dicyanoethenylamino)benzoic Acid
TL;DR: 2-(2,2-dicyanoethenylamino)benzoic Acid (CAS 811841-69-7) is a chemical compound with molecular formula C11H7N3O2 and molecular weight 213.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,2-dicyanoethenylamino)benzoic acid
Also Known As: 2-((2,2-Dinitrilovinyl)amino)benzoic acid, 2-(2,2-dicyanoethenylamino)benzoic Acid, 2-[(2,2-dicyanoeth-1-en-1-yl)amino]benzoic acid, 2-((2,2-Dicyanovinyl)amino)benzoic acid, 2-(2,2-dicyanovinylamino)benzoic acid
| Molecular Formula | C11H7N3O2 |
|---|---|
| Molecular Weight | 213.05 g/mol |
| LogP | 1.72776 |
| Topological Polar Surface Area | 96.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 213.05383 |
| Heavy Atoms | 16 |
| Complexity | 504.7666 |
Chemical Identifiers
| CAS Number | 811841-69-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)NC=C(C#N)C#N |
Product Overview
2-(2,2-dicyanoethenylamino)benzoic Acid (CAS 811841-69-7), with molecular formula C11H7N3O2 and molecular weight 213.05 g/mol. IUPAC: 2-(2,2-dicyanoethenylamino)benzoic acid.
Chemical Property Profile of 2-(2,2-dicyanoethenylamino)benzoic Acid
Property Insights of 2-(2,2-dicyanoethenylamino)benzoic Acid
The XLogP value of 1.72776 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2,2-dicyanoethenylamino)benzoic Acid. The TPSA of 96.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2,2-dicyanoethenylamino)benzoic Acid. Following Lipinski's Rule of Five, 2-(2,2-dicyanoethenylamino)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-(2,2-dicyanoethenylamino)benzoic Acid?
The CAS number of 2-(2,2-dicyanoethenylamino)benzoic Acid is 811841-69-7.
What is the molecular formula of 2-(2,2-dicyanoethenylamino)benzoic Acid?
The molecular formula of 2-(2,2-dicyanoethenylamino)benzoic Acid is C11H7N3O2.
What is the molecular weight of 2-(2,2-dicyanoethenylamino)benzoic Acid?
The molecular weight of 2-(2,2-dicyanoethenylamino)benzoic Acid is 213.05 g/mol.
Where can I buy 2-(2,2-dicyanoethenylamino)benzoic Acid?
You can request a quote for 2-(2,2-dicyanoethenylamino)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-(2,2-dicyanoethenylamino)benzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,2-dicyanoethenylamino)benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.