Benzoic acid, 4-(2,2-dicyanoethenyl)-
TL;DR: Benzoic acid, 4-(2,2-dicyanoethenyl)- (CAS 15725-53-8) is a chemical compound with molecular formula C11H6N2O2 and molecular weight 198.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,2-dicyanoethenyl)benzoic acid
Also Known As: Benzoic acid, 4-(2,2-dicyanoethenyl)-, 4-(2,2-dicyanoethenyl)benzoic acid, 4-(2,2-Dicyanovinyl)benzoic acid, benzylidenemalononitrile (BMN) deriv. 12, 4-(2,2-dicyanoeth-1-en-1-yl)benzoic acid
| Molecular Formula | C11H6N2O2 |
|---|---|
| Molecular Weight | 198.04 g/mol |
| LogP | 1.81536 |
| Topological Polar Surface Area | 84.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 198.04292 |
| Heavy Atoms | 15 |
| Complexity | 470.8046 |
Chemical Identifiers
| CAS Number | 15725-53-8 |
|---|---|
| SMILES | C1=CC(=CC=C1C=C(C#N)C#N)C(=O)O |
Product Overview
Benzoic acid, 4-(2,2-dicyanoethenyl)- (CAS 15725-53-8), with molecular formula C11H6N2O2 and molecular weight 198.04 g/mol. IUPAC: 4-(2,2-dicyanoethenyl)benzoic acid.
Chemical Property Profile of Benzoic acid, 4-(2,2-dicyanoethenyl)-
Property Insights of Benzoic acid, 4-(2,2-dicyanoethenyl)-
The XLogP value of 1.81536 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 4-(2,2-dicyanoethenyl)-. The TPSA of 84.88 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-(2,2-dicyanoethenyl)-. Following Lipinski's Rule of Five, Benzoic acid, 4-(2,2-dicyanoethenyl)- has 1 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 Benzoic acid, 4-(2,2-dicyanoethenyl)-?
The CAS number of Benzoic acid, 4-(2,2-dicyanoethenyl)- is 15725-53-8.
What is the molecular formula of Benzoic acid, 4-(2,2-dicyanoethenyl)-?
The molecular formula of Benzoic acid, 4-(2,2-dicyanoethenyl)- is C11H6N2O2.
What is the molecular weight of Benzoic acid, 4-(2,2-dicyanoethenyl)-?
The molecular weight of Benzoic acid, 4-(2,2-dicyanoethenyl)- is 198.04 g/mol.
Where can I buy Benzoic acid, 4-(2,2-dicyanoethenyl)-?
You can request a quote for Benzoic acid, 4-(2,2-dicyanoethenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-(2,2-dicyanoethenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-(2,2-dicyanoethenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.