4-Cyanobenzoic acid 4-acetylphenyl ester
TL;DR: 4-Cyanobenzoic acid 4-acetylphenyl ester (CAS 53327-07-4) is a chemical compound with molecular formula C16H11NO3 and molecular weight 265.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-acetylphenyl) 4-cyanobenzoate
Also Known As: 4-acetylphenyl 4-cyanobenzoate, 4-Cyanobenzoicacid4-acetylphenylester, (4-acetylphenyl) 4-cyanobenzoate, 4-Cyanobenzoic acid 4-acetylphenyl ester, Benzoic acid, 4-cyano-, 4-acetylphenyl ester
| Molecular Formula | C16H11NO3 |
|---|---|
| Molecular Weight | 265.07 g/mol |
| LogP | 2.98008 |
| Topological Polar Surface Area | 67.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 265.07388 |
| Heavy Atoms | 20 |
| Complexity | 679.1571 |
Chemical Identifiers
| CAS Number | 53327-07-4 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C#N |
Product Overview
4-Cyanobenzoic acid 4-acetylphenyl ester (CAS 53327-07-4), with molecular formula C16H11NO3 and molecular weight 265.07 g/mol. IUPAC: (4-acetylphenyl) 4-cyanobenzoate.
Chemical Property Profile of 4-Cyanobenzoic acid 4-acetylphenyl ester
Property Insights of 4-Cyanobenzoic acid 4-acetylphenyl ester
The XLogP value of 2.98008 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Cyanobenzoic acid 4-acetylphenyl ester. The TPSA of 67.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Cyanobenzoic acid 4-acetylphenyl ester. Following Lipinski's Rule of Five, 4-Cyanobenzoic acid 4-acetylphenyl ester has 0 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 4-Cyanobenzoic acid 4-acetylphenyl ester?
The CAS number of 4-Cyanobenzoic acid 4-acetylphenyl ester is 53327-07-4.
What is the molecular formula of 4-Cyanobenzoic acid 4-acetylphenyl ester?
The molecular formula of 4-Cyanobenzoic acid 4-acetylphenyl ester is C16H11NO3.
What is the molecular weight of 4-Cyanobenzoic acid 4-acetylphenyl ester?
The molecular weight of 4-Cyanobenzoic acid 4-acetylphenyl ester is 265.07 g/mol.
Where can I buy 4-Cyanobenzoic acid 4-acetylphenyl ester?
You can request a quote for 4-Cyanobenzoic acid 4-acetylphenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Cyanobenzoic acid 4-acetylphenyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Cyanobenzoic acid 4-acetylphenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.