Benzoic acid, 2-(2-(2-chlorophenyl)-1-cyanoethenyl)-, (E)-
TL;DR: Benzoic acid, 2-(2-(2-chlorophenyl)-1-cyanoethenyl)-, (E)- (CAS 75227-06-4) is a chemical compound with molecular formula C16H10ClNO2 and molecular weight 283.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(E)-2-(2-chlorophenyl)-1-cyanoethenyl]benzoic acid
Also Known As: (E)-2-(2-(2-Chlorophenyl)-1-cyanoethenyl)benzoic acid, 0-09-00-00946 (Beilstein Handbook Reference), 2-[(E)-2-(2-chlorophenyl)-1-cyanoethenyl]benzoic acid, BENZOIC ACID, 2-(2-(2-CHLOROPHENYL)-1-CYANOETHENYL)-, (E)-, RefChem:1078953
| Molecular Formula | C16H10ClNO2 |
|---|---|
| Molecular Weight | 283.04 g/mol |
| LogP | 4.10238 |
| Topological Polar Surface Area | 61.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.04 |
| Heavy Atoms | 20 |
| Complexity | 729.2519 |
Chemical Identifiers
| CAS Number | 75227-06-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)/C=C(/C#N)\C2=CC=CC=C2C(=O)O)Cl |
Product Overview
Benzoic acid, 2-(2-(2-chlorophenyl)-1-cyanoethenyl)-, (E)- (CAS 75227-06-4), with molecular formula C16H10ClNO2 and molecular weight 283.04 g/mol. IUPAC: 2-[(E)-2-(2-chlorophenyl)-1-cyanoethenyl]benzoic acid.
Chemical Property Profile of Benzoic acid, 2-(2-(2-chlorophenyl)-1-cyanoethenyl)-, (E)-
Property Insights of Benzoic acid, 2-(2-(2-chlorophenyl)-1-cyanoethenyl)-, (E)-
The XLogP value of 4.10238 indicates that Benzoic acid, 2-(2-(2-chlorophenyl)-1-cyanoethenyl)-, (E)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.09 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 2-(2-(2-chlorophenyl)-1-cyanoethenyl)-, (E)-. Following Lipinski's Rule of Five, Benzoic acid, 2-(2-(2-chlorophenyl)-1-cyanoethenyl)-, (E)- has 1 hydrogen bond donor(s) and 2 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, 2-(2-(2-chlorophenyl)-1-cyanoethenyl)-, (E)-?
The CAS number of Benzoic acid, 2-(2-(2-chlorophenyl)-1-cyanoethenyl)-, (E)- is 75227-06-4.
What is the molecular formula of Benzoic acid, 2-(2-(2-chlorophenyl)-1-cyanoethenyl)-, (E)-?
The molecular formula of Benzoic acid, 2-(2-(2-chlorophenyl)-1-cyanoethenyl)-, (E)- is C16H10ClNO2.
What is the molecular weight of Benzoic acid, 2-(2-(2-chlorophenyl)-1-cyanoethenyl)-, (E)-?
The molecular weight of Benzoic acid, 2-(2-(2-chlorophenyl)-1-cyanoethenyl)-, (E)- is 283.04 g/mol.
Where can I buy Benzoic acid, 2-(2-(2-chlorophenyl)-1-cyanoethenyl)-, (E)-?
You can request a quote for Benzoic acid, 2-(2-(2-chlorophenyl)-1-cyanoethenyl)-, (E)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2-(2-(2-chlorophenyl)-1-cyanoethenyl)-, (E)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-(2-(2-chlorophenyl)-1-cyanoethenyl)-, (E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.