Benzoic acid, 3-amino-, methyl ester
TL;DR: Benzoic acid, 3-amino-, methyl ester (CAS 4518-10-9) is a chemical compound with molecular formula C8H9NO2 and molecular weight 151.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-aminobenzoate
Also Known As: Methyl 3-aminobenzoate, Methyl m-aminobenzoate, phenazopyridine, 3-Aminobenzoic Acid Methyl Ester, Methyl-3-aminobenzoate
| Molecular Formula | C8H9NO2 |
|---|---|
| Molecular Weight | 151.06 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 151.06332 |
| Heavy Atoms | 11 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 4518-10-9 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC=C1)N |
| InChIKey | VZDNXXPBYLGWOS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 3-amino-, methyl ester (CAS 4518-10-9), with molecular formula C8H9NO2 and molecular weight 151.06 g/mol. IUPAC: methyl 3-aminobenzoate.
Chemical Property Profile of Benzoic acid, 3-amino-, methyl ester
Property Insights of Benzoic acid, 3-amino-, methyl ester
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 3-amino-, methyl ester. With a topological polar surface area (TPSA) of 52.3 Ų, Benzoic acid, 3-amino-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 3-amino-, 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-amino-, methyl ester?
The CAS number of Benzoic acid, 3-amino-, methyl ester is 4518-10-9.
What is the molecular formula of Benzoic acid, 3-amino-, methyl ester?
The molecular formula of Benzoic acid, 3-amino-, methyl ester is C8H9NO2.
What is the molecular weight of Benzoic acid, 3-amino-, methyl ester?
The molecular weight of Benzoic acid, 3-amino-, methyl ester is 151.06 g/mol.
Where can I buy Benzoic acid, 3-amino-, methyl ester?
You can request a quote for Benzoic acid, 3-amino-, 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-amino-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3-amino-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.