![Benzoic acid, 4-[(3-nitrobenzoyl)amino]-, ethyl ester structure](/static/products/886/88640-80-6.png)
Benzoic acid, 4-[(3-nitrobenzoyl)amino]-, ethyl ester
TL;DR: Benzoic acid, 4-[(3-nitrobenzoyl)amino]-, ethyl ester (CAS 88640-80-6) is a chemical compound with molecular formula C16H14N2O5 and molecular weight 314.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(3-nitrobenzoyl)amino]benzoate
Also Known As: ethyl 4-[(3-nitrobenzoyl)amino]benzoate, ethyl 4-(3-nitrobenzamido)benzoate, Benzoic acid, 4-[(3-nitrobenzoyl)amino]-, ethyl ester, ethyl 4-[(3-nitrobenzene)amido]benzoate, ethyl 4-[(3-nitrophenyl)carbonylamino]benzoate
| Molecular Formula | C16H14N2O5 |
|---|---|
| Molecular Weight | 314.09 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 314.09027 |
| Heavy Atoms | 23 |
| Complexity | 440.0 |
Chemical Identifiers
| CAS Number | 88640-80-6 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-] |
| InChIKey | GFIJIYJLXHWXCK-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 4-[(3-nitrobenzoyl)amino]-, ethyl ester (CAS 88640-80-6), with molecular formula C16H14N2O5 and molecular weight 314.09 g/mol. IUPAC: ethyl 4-[(3-nitrobenzoyl)amino]benzoate.
Chemical Property Profile of Benzoic acid, 4-[(3-nitrobenzoyl)amino]-, ethyl ester
Property Insights of Benzoic acid, 4-[(3-nitrobenzoyl)amino]-, ethyl ester
The XLogP value of 3.2 indicates that Benzoic acid, 4-[(3-nitrobenzoyl)amino]-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-[(3-nitrobenzoyl)amino]-, ethyl ester. Following Lipinski's Rule of Five, Benzoic acid, 4-[(3-nitrobenzoyl)amino]-, ethyl 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-[(3-nitrobenzoyl)amino]-, ethyl ester?
The CAS number of Benzoic acid, 4-[(3-nitrobenzoyl)amino]-, ethyl ester is 88640-80-6.
What is the molecular formula of Benzoic acid, 4-[(3-nitrobenzoyl)amino]-, ethyl ester?
The molecular formula of Benzoic acid, 4-[(3-nitrobenzoyl)amino]-, ethyl ester is C16H14N2O5.
What is the molecular weight of Benzoic acid, 4-[(3-nitrobenzoyl)amino]-, ethyl ester?
The molecular weight of Benzoic acid, 4-[(3-nitrobenzoyl)amino]-, ethyl ester is 314.09 g/mol.
Where can I buy Benzoic acid, 4-[(3-nitrobenzoyl)amino]-, ethyl ester?
You can request a quote for Benzoic acid, 4-[(3-nitrobenzoyl)amino]-, ethyl 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-[(3-nitrobenzoyl)amino]-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-[(3-nitrobenzoyl)amino]-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.