![Benzoic acid, 4-[[(4-nitrophenyl)amino]carbonyl]-, methyl ester structure](/static/products/898/89846-75-3.png)
Benzoic acid, 4-[[(4-nitrophenyl)amino]carbonyl]-, methyl ester
TL;DR: Benzoic acid, 4-[[(4-nitrophenyl)amino]carbonyl]-, methyl ester (CAS 89846-75-3) is a chemical compound with molecular formula C15H12N2O5 and molecular weight 300.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(4-nitrophenyl)carbamoyl]benzoate
Also Known As: methyl 4-[(4-nitrophenyl)carbamoyl]benzoate, 1-Dodecanaminium,N,N,N-triheptyl-,iodide, methyl 4-(4-nitrophenylcarbamoyl)benzoate, Benzoic acid, 4-[[(4-nitrophenyl)amino]carbonyl]-, methyl ester
| Molecular Formula | C15H12N2O5 |
|---|---|
| Molecular Weight | 300.07 g/mol |
| LogP | 2.6337 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.07462 |
| Heavy Atoms | 22 |
| Complexity | 707.7176 |
Chemical Identifiers
| CAS Number | 89846-75-3 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
Benzoic acid, 4-[[(4-nitrophenyl)amino]carbonyl]-, methyl ester (CAS 89846-75-3), with molecular formula C15H12N2O5 and molecular weight 300.07 g/mol. IUPAC: methyl 4-[(4-nitrophenyl)carbamoyl]benzoate.
Chemical Property Profile of Benzoic acid, 4-[[(4-nitrophenyl)amino]carbonyl]-, methyl ester
Property Insights of Benzoic acid, 4-[[(4-nitrophenyl)amino]carbonyl]-, methyl ester
The XLogP value of 2.6337 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 4-[[(4-nitrophenyl)amino]carbonyl]-, methyl ester. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-[[(4-nitrophenyl)amino]carbonyl]-, methyl ester. Following Lipinski's Rule of Five, Benzoic acid, 4-[[(4-nitrophenyl)amino]carbonyl]-, methyl ester has 1 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 Benzoic acid, 4-[[(4-nitrophenyl)amino]carbonyl]-, methyl ester?
The CAS number of Benzoic acid, 4-[[(4-nitrophenyl)amino]carbonyl]-, methyl ester is 89846-75-3.
What is the molecular formula of Benzoic acid, 4-[[(4-nitrophenyl)amino]carbonyl]-, methyl ester?
The molecular formula of Benzoic acid, 4-[[(4-nitrophenyl)amino]carbonyl]-, methyl ester is C15H12N2O5.
What is the molecular weight of Benzoic acid, 4-[[(4-nitrophenyl)amino]carbonyl]-, methyl ester?
The molecular weight of Benzoic acid, 4-[[(4-nitrophenyl)amino]carbonyl]-, methyl ester is 300.07 g/mol.
Where can I buy Benzoic acid, 4-[[(4-nitrophenyl)amino]carbonyl]-, methyl ester?
You can request a quote for Benzoic acid, 4-[[(4-nitrophenyl)amino]carbonyl]-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-[[(4-nitrophenyl)amino]carbonyl]-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-[[(4-nitrophenyl)amino]carbonyl]-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.