Carbamic acid, (3-methylphenyl)-, methyl ester
TL;DR: Carbamic acid, (3-methylphenyl)-, methyl ester (CAS 39076-18-1) 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 N-(3-methylphenyl)carbamate
Also Known As: Methyl N-(3-methylphenyl)carbamate, Methyl N-(m-tolyl)carbamate, Methyl m-tolylcarbamate, Carbamic acid, (3-methylphenyl)-, methyl ester, Methyl (3-methylphenyl)carbamate
| Molecular Formula | C9H11NO2 |
|---|---|
| Molecular Weight | 165.08 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 165.07898 |
| Heavy Atoms | 12 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 39076-18-1 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=O)OC |
| InChIKey | YYKXNDIQHDVJKF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Carbamic acid, (3-methylphenyl)-, methyl ester (CAS 39076-18-1), with molecular formula C9H11NO2 and molecular weight 165.08 g/mol. IUPAC: methyl N-(3-methylphenyl)carbamate.
Chemical Property Profile of Carbamic acid, (3-methylphenyl)-, methyl ester
Property Insights of Carbamic acid, (3-methylphenyl)-, methyl ester
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamic acid, (3-methylphenyl)-, methyl ester. With a topological polar surface area (TPSA) of 38.3 Ų, Carbamic acid, (3-methylphenyl)-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamic acid, (3-methylphenyl)-, methyl ester has 1 hydrogen bond donor(s) and 2 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 Carbamic acid, (3-methylphenyl)-, methyl ester?
The CAS number of Carbamic acid, (3-methylphenyl)-, methyl ester is 39076-18-1.
What is the molecular formula of Carbamic acid, (3-methylphenyl)-, methyl ester?
The molecular formula of Carbamic acid, (3-methylphenyl)-, methyl ester is C9H11NO2.
What is the molecular weight of Carbamic acid, (3-methylphenyl)-, methyl ester?
The molecular weight of Carbamic acid, (3-methylphenyl)-, methyl ester is 165.08 g/mol.
Where can I buy Carbamic acid, (3-methylphenyl)-, methyl ester?
You can request a quote for Carbamic acid, (3-methylphenyl)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamic acid, (3-methylphenyl)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, (3-methylphenyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.