4-Cyanobenzoic acid 3-nitrophenyl ester
TL;DR: 4-Cyanobenzoic acid 3-nitrophenyl ester (CAS 53327-06-3) is a chemical compound with molecular formula C14H8N2O4 and molecular weight 268.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-nitrophenyl) 4-cyanobenzoate
Also Known As: 3-nitrophenyl 4-cyanobenzoate, (3-nitrophenyl) 4-cyanobenzoate, 4-Cyanobenzoic acid 3-nitrophenyl ester, Benzoic acid, 4-cyano-, 3-nitrophenyl ester
| Molecular Formula | C14H8N2O4 |
|---|---|
| Molecular Weight | 268.05 g/mol |
| LogP | 2.68568 |
| Topological Polar Surface Area | 93.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 268.0484 |
| Heavy Atoms | 20 |
| Complexity | 701.859 |
Chemical Identifiers
| CAS Number | 53327-06-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)OC(=O)C2=CC=C(C=C2)C#N)[N+](=O)[O-] |
Product Overview
4-Cyanobenzoic acid 3-nitrophenyl ester (CAS 53327-06-3), with molecular formula C14H8N2O4 and molecular weight 268.05 g/mol. IUPAC: (3-nitrophenyl) 4-cyanobenzoate.
Chemical Property Profile of 4-Cyanobenzoic acid 3-nitrophenyl ester
Property Insights of 4-Cyanobenzoic acid 3-nitrophenyl ester
The XLogP value of 2.68568 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Cyanobenzoic acid 3-nitrophenyl ester. The TPSA of 93.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Cyanobenzoic acid 3-nitrophenyl ester. Following Lipinski's Rule of Five, 4-Cyanobenzoic acid 3-nitrophenyl ester has 0 hydrogen bond donor(s) and 5 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 3-nitrophenyl ester?
The CAS number of 4-Cyanobenzoic acid 3-nitrophenyl ester is 53327-06-3.
What is the molecular formula of 4-Cyanobenzoic acid 3-nitrophenyl ester?
The molecular formula of 4-Cyanobenzoic acid 3-nitrophenyl ester is C14H8N2O4.
What is the molecular weight of 4-Cyanobenzoic acid 3-nitrophenyl ester?
The molecular weight of 4-Cyanobenzoic acid 3-nitrophenyl ester is 268.05 g/mol.
Where can I buy 4-Cyanobenzoic acid 3-nitrophenyl ester?
You can request a quote for 4-Cyanobenzoic acid 3-nitrophenyl 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 3-nitrophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Cyanobenzoic acid 3-nitrophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.