Methyl N-(p-tolyl)carbamate
TL;DR: Methyl N-(p-tolyl)carbamate (CAS 5602-96-0) 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 N-(4-methylphenyl)carbamate
Also Known As: 4-Methylacetanilide, Methyl p-tolylcarbamate, methyl N-(4-methylphenyl)carbamate, methyl-N-(4-tolyl)carbamate, Methyl (4-methylphenyl)carbamate
| Molecular Formula | C9H11NO2 |
|---|---|
| Molecular Weight | 165.08 g/mol |
| LogP | 2.3 |
| 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 | 151.0 |
Chemical Identifiers
| CAS Number | 5602-96-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)OC |
| InChIKey | OKBJVCWRESLMMD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl N-(p-tolyl)carbamate (CAS 5602-96-0), with molecular formula C9H11NO2 and molecular weight 165.08 g/mol. IUPAC: methyl N-(4-methylphenyl)carbamate.
Chemical Property Profile of Methyl N-(p-tolyl)carbamate
Property Insights of Methyl N-(p-tolyl)carbamate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl N-(p-tolyl)carbamate. With a topological polar surface area (TPSA) of 38.3 Ų, Methyl N-(p-tolyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl N-(p-tolyl)carbamate 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 Methyl N-(p-tolyl)carbamate?
The CAS number of Methyl N-(p-tolyl)carbamate is 5602-96-0.
What is the molecular formula of Methyl N-(p-tolyl)carbamate?
The molecular formula of Methyl N-(p-tolyl)carbamate is C9H11NO2.
What is the molecular weight of Methyl N-(p-tolyl)carbamate?
The molecular weight of Methyl N-(p-tolyl)carbamate is 165.08 g/mol.
Where can I buy Methyl N-(p-tolyl)carbamate?
You can request a quote for Methyl N-(p-tolyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl N-(p-tolyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for Methyl N-(p-tolyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.