![4-{2-Cyano-2-[(2,6-dimethylphenyl)carbamoyl]eth-1-en-1-yl}benzoic acid structure](/static/products/4752/475249-37-7.webp)
4-{2-Cyano-2-[(2,6-dimethylphenyl)carbamoyl]eth-1-en-1-yl}benzoic acid
TL;DR: 4-{2-Cyano-2-[(2,6-dimethylphenyl)carbamoyl]eth-1-en-1-yl}benzoic acid (CAS 475249-37-7) is a chemical compound with molecular formula C19H16N2O3 and molecular weight 320.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(Z)-2-cyano-3-(2,6-dimethylanilino)-3-oxoprop-1-enyl]benzoic acid
Also Known As: 4-[(Z)-2-Cyano-3-(2,6-dimethylanilino)-3-oxoprop-1-enyl]benzoic acid, 4-{2-cyano-2-[(2,6-dimethylphenyl)carbamoyl]eth-1-en-1-yl}benzoic acid
| Molecular Formula | C19H16N2O3 |
|---|---|
| Molecular Weight | 320.12 g/mol |
| LogP | 3.54732 |
| Topological Polar Surface Area | 90.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 320.1161 |
| Heavy Atoms | 24 |
| Complexity | 838.9209 |
Chemical Identifiers
| CAS Number | 475249-37-7 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)NC(=O)/C(=C\C2=CC=C(C=C2)C(=O)O)/C#N |
Product Overview
4-{2-Cyano-2-[(2,6-dimethylphenyl)carbamoyl]eth-1-en-1-yl}benzoic acid (CAS 475249-37-7), with molecular formula C19H16N2O3 and molecular weight 320.12 g/mol. IUPAC: 4-[(Z)-2-cyano-3-(2,6-dimethylanilino)-3-oxoprop-1-enyl]benzoic acid.
Chemical Property Profile of 4-{2-Cyano-2-[(2,6-dimethylphenyl)carbamoyl]eth-1-en-1-yl}benzoic acid
Property Insights of 4-{2-Cyano-2-[(2,6-dimethylphenyl)carbamoyl]eth-1-en-1-yl}benzoic acid
The XLogP value of 3.54732 indicates that 4-{2-Cyano-2-[(2,6-dimethylphenyl)carbamoyl]eth-1-en-1-yl}benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{2-Cyano-2-[(2,6-dimethylphenyl)carbamoyl]eth-1-en-1-yl}benzoic acid. Following Lipinski's Rule of Five, 4-{2-Cyano-2-[(2,6-dimethylphenyl)carbamoyl]eth-1-en-1-yl}benzoic acid has 2 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 4-{2-Cyano-2-[(2,6-dimethylphenyl)carbamoyl]eth-1-en-1-yl}benzoic acid?
The CAS number of 4-{2-Cyano-2-[(2,6-dimethylphenyl)carbamoyl]eth-1-en-1-yl}benzoic acid is 475249-37-7.
What is the molecular formula of 4-{2-Cyano-2-[(2,6-dimethylphenyl)carbamoyl]eth-1-en-1-yl}benzoic acid?
The molecular formula of 4-{2-Cyano-2-[(2,6-dimethylphenyl)carbamoyl]eth-1-en-1-yl}benzoic acid is C19H16N2O3.
What is the molecular weight of 4-{2-Cyano-2-[(2,6-dimethylphenyl)carbamoyl]eth-1-en-1-yl}benzoic acid?
The molecular weight of 4-{2-Cyano-2-[(2,6-dimethylphenyl)carbamoyl]eth-1-en-1-yl}benzoic acid is 320.12 g/mol.
Where can I buy 4-{2-Cyano-2-[(2,6-dimethylphenyl)carbamoyl]eth-1-en-1-yl}benzoic acid?
You can request a quote for 4-{2-Cyano-2-[(2,6-dimethylphenyl)carbamoyl]eth-1-en-1-yl}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{2-Cyano-2-[(2,6-dimethylphenyl)carbamoyl]eth-1-en-1-yl}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{2-Cyano-2-[(2,6-dimethylphenyl)carbamoyl]eth-1-en-1-yl}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.