3-(3-Nitro-benzoylamino)-benzoic acid methyl ester
TL;DR: 3-(3-Nitro-benzoylamino)-benzoic acid methyl ester (CAS 39799-67-2) 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 3-[(3-nitrobenzoyl)amino]benzoate
Also Known As: BAS 00086698, methyl 3-({3-nitrobenzoyl}amino)benzoate, methyl 3-[(3-nitrobenzoyl)amino]benzoate, 3-(3-Nitro-benzoylamino)-benzoic acid methyl ester, methyl 3-{[(3-nitrophenyl)carbonyl]amino}benzoate
| 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 | 742.2176 |
Chemical Identifiers
| CAS Number | 39799-67-2 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC=C1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-] |
Product Overview
3-(3-Nitro-benzoylamino)-benzoic acid methyl ester (CAS 39799-67-2), with molecular formula C15H12N2O5 and molecular weight 300.07 g/mol. IUPAC: methyl 3-[(3-nitrobenzoyl)amino]benzoate.
Chemical Property Profile of 3-(3-Nitro-benzoylamino)-benzoic acid methyl ester
Property Insights of 3-(3-Nitro-benzoylamino)-benzoic acid methyl ester
The XLogP value of 2.6337 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-Nitro-benzoylamino)-benzoic acid methyl ester. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-Nitro-benzoylamino)-benzoic acid methyl ester. Following Lipinski's Rule of Five, 3-(3-Nitro-benzoylamino)-benzoic acid 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 3-(3-Nitro-benzoylamino)-benzoic acid methyl ester?
The CAS number of 3-(3-Nitro-benzoylamino)-benzoic acid methyl ester is 39799-67-2.
What is the molecular formula of 3-(3-Nitro-benzoylamino)-benzoic acid methyl ester?
The molecular formula of 3-(3-Nitro-benzoylamino)-benzoic acid methyl ester is C15H12N2O5.
What is the molecular weight of 3-(3-Nitro-benzoylamino)-benzoic acid methyl ester?
The molecular weight of 3-(3-Nitro-benzoylamino)-benzoic acid methyl ester is 300.07 g/mol.
Where can I buy 3-(3-Nitro-benzoylamino)-benzoic acid methyl ester?
You can request a quote for 3-(3-Nitro-benzoylamino)-benzoic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Nitro-benzoylamino)-benzoic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Nitro-benzoylamino)-benzoic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.