Benzoic acid, 3-(aminocarbonyl)-, methyl ester
TL;DR: Benzoic acid, 3-(aminocarbonyl)-, methyl ester (CAS 436099-84-2) is a chemical compound with molecular formula C9H9NO3 and molecular weight 179.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-carbamoylbenzoate
Also Known As: methyl 3-carbamoylbenzoate, Methyl 3-(Aminocarbonyl)benzoate, 7-Methoxyindole, Methyl isophthalamate, isophthalamic acid methyl ester
| Molecular Formula | C9H9NO3 |
|---|---|
| Molecular Weight | 179.06 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 69.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 179.05824 |
| Heavy Atoms | 13 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 436099-84-2 |
|---|---|
| SMILES | COC(=O)C1=CC=CC(=C1)C(=O)N |
| InChIKey | MNDFXDXRMYURMC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 3-(aminocarbonyl)-, methyl ester (CAS 436099-84-2), with molecular formula C9H9NO3 and molecular weight 179.06 g/mol. IUPAC: methyl 3-carbamoylbenzoate.
Chemical Property Profile of Benzoic acid, 3-(aminocarbonyl)-, methyl ester
Property Insights of Benzoic acid, 3-(aminocarbonyl)-, methyl ester
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 3-(aminocarbonyl)-, methyl ester. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 3-(aminocarbonyl)-, methyl ester. Following Lipinski's Rule of Five, Benzoic acid, 3-(aminocarbonyl)-, methyl ester has 1 hydrogen bond donor(s) and 3 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, 3-(aminocarbonyl)-, methyl ester?
The CAS number of Benzoic acid, 3-(aminocarbonyl)-, methyl ester is 436099-84-2.
What is the molecular formula of Benzoic acid, 3-(aminocarbonyl)-, methyl ester?
The molecular formula of Benzoic acid, 3-(aminocarbonyl)-, methyl ester is C9H9NO3.
What is the molecular weight of Benzoic acid, 3-(aminocarbonyl)-, methyl ester?
The molecular weight of Benzoic acid, 3-(aminocarbonyl)-, methyl ester is 179.06 g/mol.
Where can I buy Benzoic acid, 3-(aminocarbonyl)-, methyl ester?
You can request a quote for Benzoic acid, 3-(aminocarbonyl)-, 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, 3-(aminocarbonyl)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3-(aminocarbonyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.