Benzoic acid, 2-amino-6-methyl-, methyl ester
TL;DR: Benzoic acid, 2-amino-6-methyl-, methyl ester (CAS 18709-11-0) is a chemical compound with molecular formula C9H11NO2 and molecular weight 165.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-amino-6-methylbenzoate
Also Known As: Methyl 2-amino-6-methylbenzoate, 2-amino-6-methylbenzoic acid methyl ester, Methyl 3-Amino-o-toluate, methyl 6-methylanthranilate, Benzoic acid, 2-amino-6-methyl-, methyl ester
| Molecular Formula | C9H11NO2 |
|---|---|
| Molecular Weight | 165.08 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 165.07898 |
| Heavy Atoms | 12 |
| Complexity | 170.0 |
Chemical Identifiers
| CAS Number | 18709-11-0 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)N)C(=O)OC |
| InChIKey | HCLLOQLXKCCWLJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 2-amino-6-methyl-, methyl ester (CAS 18709-11-0), with molecular formula C9H11NO2 and molecular weight 165.08 g/mol. IUPAC: methyl 2-amino-6-methylbenzoate.
Chemical Property Profile of Benzoic acid, 2-amino-6-methyl-, methyl ester
Property Insights of Benzoic acid, 2-amino-6-methyl-, methyl ester
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 2-amino-6-methyl-, methyl ester. With a topological polar surface area (TPSA) of 52.3 Ų, Benzoic acid, 2-amino-6-methyl-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 2-amino-6-methyl-, 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, 2-amino-6-methyl-, methyl ester?
The CAS number of Benzoic acid, 2-amino-6-methyl-, methyl ester is 18709-11-0.
What is the molecular formula of Benzoic acid, 2-amino-6-methyl-, methyl ester?
The molecular formula of Benzoic acid, 2-amino-6-methyl-, methyl ester is C9H11NO2.
What is the molecular weight of Benzoic acid, 2-amino-6-methyl-, methyl ester?
The molecular weight of Benzoic acid, 2-amino-6-methyl-, methyl ester is 165.08 g/mol.
Where can I buy Benzoic acid, 2-amino-6-methyl-, methyl ester?
You can request a quote for Benzoic acid, 2-amino-6-methyl-, 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, 2-amino-6-methyl-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-amino-6-methyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.