Benzoic acid, 2-(1-cyano-2-(2,4-dichlorophenyl)ethenyl)-, (E)-
TL;DR: Benzoic acid, 2-(1-cyano-2-(2,4-dichlorophenyl)ethenyl)-, (E)- (CAS 75227-07-5) is a chemical compound with molecular formula C16H9Cl2NO2 and molecular weight 317.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(E)-1-cyano-2-(2,4-dichlorophenyl)ethenyl]benzoic acid
Also Known As: (E)-2-(1-Cyano-2-(2,4-dichlorophenyl)ethenyl)benzoic acid, BENZOIC ACID, 2-(1-CYANO-2-(2,4-DICHLOROPHENYL)ETHENYL)-, (E)-, 2-[(E)-1-cyano-2-(2,4-dichlorophenyl)ethenyl]benzoic acid, RefChem:1078947, BRN 2295169
| Molecular Formula | C16H9Cl2NO2 |
|---|---|
| Molecular Weight | 317.00 g/mol |
| LogP | 4.75578 |
| Topological Polar Surface Area | 61.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 317.00104 |
| Heavy Atoms | 21 |
| Complexity | 776.08673 |
Chemical Identifiers
| CAS Number | 75227-07-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)/C(=C\C2=C(C=C(C=C2)Cl)Cl)/C#N)C(=O)O |
Product Overview
Benzoic acid, 2-(1-cyano-2-(2,4-dichlorophenyl)ethenyl)-, (E)- (CAS 75227-07-5), with molecular formula C16H9Cl2NO2 and molecular weight 317.00 g/mol. IUPAC: 2-[(E)-1-cyano-2-(2,4-dichlorophenyl)ethenyl]benzoic acid.
Chemical Property Profile of Benzoic acid, 2-(1-cyano-2-(2,4-dichlorophenyl)ethenyl)-, (E)-
Property Insights of Benzoic acid, 2-(1-cyano-2-(2,4-dichlorophenyl)ethenyl)-, (E)-
The XLogP value of 4.75578 indicates that Benzoic acid, 2-(1-cyano-2-(2,4-dichlorophenyl)ethenyl)-, (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-(1-cyano-2-(2,4-dichlorophenyl)ethenyl)-, (E)-. Following Lipinski's Rule of Five, Benzoic acid, 2-(1-cyano-2-(2,4-dichlorophenyl)ethenyl)-, (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-(1-cyano-2-(2,4-dichlorophenyl)ethenyl)-, (E)-?
The CAS number of Benzoic acid, 2-(1-cyano-2-(2,4-dichlorophenyl)ethenyl)-, (E)- is 75227-07-5.
What is the molecular formula of Benzoic acid, 2-(1-cyano-2-(2,4-dichlorophenyl)ethenyl)-, (E)-?
The molecular formula of Benzoic acid, 2-(1-cyano-2-(2,4-dichlorophenyl)ethenyl)-, (E)- is C16H9Cl2NO2.
What is the molecular weight of Benzoic acid, 2-(1-cyano-2-(2,4-dichlorophenyl)ethenyl)-, (E)-?
The molecular weight of Benzoic acid, 2-(1-cyano-2-(2,4-dichlorophenyl)ethenyl)-, (E)- is 317.00 g/mol.
Where can I buy Benzoic acid, 2-(1-cyano-2-(2,4-dichlorophenyl)ethenyl)-, (E)-?
You can request a quote for Benzoic acid, 2-(1-cyano-2-(2,4-dichlorophenyl)ethenyl)-, (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-(1-cyano-2-(2,4-dichlorophenyl)ethenyl)-, (E)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-(1-cyano-2-(2,4-dichlorophenyl)ethenyl)-, (E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.