Carbamic acid, methyl-, 4-chloro-m-tolyl ester
TL;DR: Carbamic acid, methyl-, 4-chloro-m-tolyl ester (CAS 2589-65-3) is a chemical compound with molecular formula C9H10ClNO2 and molecular weight 199.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chloro-3-methylphenyl) N-methylcarbamate
Also Known As: 4-Chloro-m-tolyl methylcarbamate, Carbamic acid, methyl-, 4-chloro-m-tolyl ester, 4-Chloro-3-methylphenyl methylcarbamate, 4-chlor-3-methylphenyl-methylcarbamat, BENZOTHIAZOLE, ETHYLSULFONYL-
| Molecular Formula | C9H10ClNO2 |
|---|---|
| Molecular Weight | 199.04 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 199.04001 |
| Heavy Atoms | 13 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 2589-65-3 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)OC(=O)NC)Cl |
| InChIKey | CWOGPWIJFSPUMU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Carbamic acid, methyl-, 4-chloro-m-tolyl ester (CAS 2589-65-3), with molecular formula C9H10ClNO2 and molecular weight 199.04 g/mol. IUPAC: (4-chloro-3-methylphenyl) N-methylcarbamate.
Chemical Property Profile of Carbamic acid, methyl-, 4-chloro-m-tolyl ester
Property Insights of Carbamic acid, methyl-, 4-chloro-m-tolyl ester
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamic acid, methyl-, 4-chloro-m-tolyl ester. With a topological polar surface area (TPSA) of 38.3 Ų, Carbamic acid, methyl-, 4-chloro-m-tolyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamic acid, methyl-, 4-chloro-m-tolyl 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, methyl-, 4-chloro-m-tolyl ester?
The CAS number of Carbamic acid, methyl-, 4-chloro-m-tolyl ester is 2589-65-3.
What is the molecular formula of Carbamic acid, methyl-, 4-chloro-m-tolyl ester?
The molecular formula of Carbamic acid, methyl-, 4-chloro-m-tolyl ester is C9H10ClNO2.
What is the molecular weight of Carbamic acid, methyl-, 4-chloro-m-tolyl ester?
The molecular weight of Carbamic acid, methyl-, 4-chloro-m-tolyl ester is 199.04 g/mol.
Where can I buy Carbamic acid, methyl-, 4-chloro-m-tolyl ester?
You can request a quote for Carbamic acid, methyl-, 4-chloro-m-tolyl 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, methyl-, 4-chloro-m-tolyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, methyl-, 4-chloro-m-tolyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.