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Benzoic acid, 4-[(4-nitrobenzoyl)amino]-, phenyl ester
TL;DR: Benzoic acid, 4-[(4-nitrobenzoyl)amino]-, phenyl ester (CAS 69498-46-0) is a chemical compound with molecular formula C20H14N2O5 and molecular weight 362.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl 4-[(4-nitrobenzoyl)amino]benzoate
Also Known As: 3(R)-methylpyrrolidine, phenyl 4-[(4-nitrobenzoyl)amino]benzoate, PHENYL 4-(4-NITROBENZAMIDO)BENZOATE, Benzoic acid, 4-[(4-nitrobenzoyl)amino]-, phenyl ester, J1.582.737H
| Molecular Formula | C20H14N2O5 |
|---|---|
| Molecular Weight | 362.09 g/mol |
| LogP | 4.0663 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 362.09027 |
| Heavy Atoms | 27 |
| Complexity | 967.5186 |
Chemical Identifiers
| CAS Number | 69498-46-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
Benzoic acid, 4-[(4-nitrobenzoyl)amino]-, phenyl ester (CAS 69498-46-0), with molecular formula C20H14N2O5 and molecular weight 362.09 g/mol. IUPAC: phenyl 4-[(4-nitrobenzoyl)amino]benzoate.
Chemical Property Profile of Benzoic acid, 4-[(4-nitrobenzoyl)amino]-, phenyl ester
Property Insights of Benzoic acid, 4-[(4-nitrobenzoyl)amino]-, phenyl ester
The XLogP value of 4.0663 indicates that Benzoic acid, 4-[(4-nitrobenzoyl)amino]-, phenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-[(4-nitrobenzoyl)amino]-, phenyl ester. Following Lipinski's Rule of Five, Benzoic acid, 4-[(4-nitrobenzoyl)amino]-, phenyl 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-nitrobenzoyl)amino]-, phenyl ester?
The CAS number of Benzoic acid, 4-[(4-nitrobenzoyl)amino]-, phenyl ester is 69498-46-0.
What is the molecular formula of Benzoic acid, 4-[(4-nitrobenzoyl)amino]-, phenyl ester?
The molecular formula of Benzoic acid, 4-[(4-nitrobenzoyl)amino]-, phenyl ester is C20H14N2O5.
What is the molecular weight of Benzoic acid, 4-[(4-nitrobenzoyl)amino]-, phenyl ester?
The molecular weight of Benzoic acid, 4-[(4-nitrobenzoyl)amino]-, phenyl ester is 362.09 g/mol.
Where can I buy Benzoic acid, 4-[(4-nitrobenzoyl)amino]-, phenyl ester?
You can request a quote for Benzoic acid, 4-[(4-nitrobenzoyl)amino]-, phenyl 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-nitrobenzoyl)amino]-, phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-[(4-nitrobenzoyl)amino]-, phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.