邻氯苯胺基甲酸甲酯
TL;DR: 邻氯苯胺基甲酸甲酯 (CAS 20668-13-7) is a chemical compound with molecular formula C8H8ClNO2 and molecular weight 185.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
邻氯苯胺基甲酸甲酯
methyl N-(2-chlorophenyl)carbamate
Also Known As: methyl N-(2-chlorophenyl)carbamate, methyl O-chlorocarbanilate, carbamicacidmethylester, Methyl 2-chlorophenylcarbamate, methyl (2-chlorophenyl)carbamate
| Molecular Formula | C8H8ClNO2 |
|---|---|
| Molecular Weight | 185.02 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 185.02435 |
| Heavy Atoms | 12 |
| Complexity | 163.0 |
| Vapor Pressure | 0.00831 [mmHg] |
Chemical Identifiers
| CAS Number | 20668-13-7 |
|---|---|
| SMILES | COC(=O)NC1=CC=CC=C1Cl |
| InChIKey | SJTVPRCAJODHGA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
邻氯苯胺基甲酸甲酯 (CAS 20668-13-7), with molecular formula C8H8ClNO2 and molecular weight 185.02 g/mol. IUPAC: methyl N-(2-chlorophenyl)carbamate.
Chemical Property Profile of 邻氯苯胺基甲酸甲酯
Property Insights of 邻氯苯胺基甲酸甲酯
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 邻氯苯胺基甲酸甲酯. With a topological polar surface area (TPSA) of 38.3 Ų, 邻氯苯胺基甲酸甲酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 邻氯苯胺基甲酸甲酯 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 邻氯苯胺基甲酸甲酯?
The CAS number of 邻氯苯胺基甲酸甲酯 is 20668-13-7.
What is the molecular formula of 邻氯苯胺基甲酸甲酯?
The molecular formula of 邻氯苯胺基甲酸甲酯 is C8H8ClNO2.
What is the molecular weight of 邻氯苯胺基甲酸甲酯?
The molecular weight of 邻氯苯胺基甲酸甲酯 is 185.02 g/mol.
Where can I buy 邻氯苯胺基甲酸甲酯?
You can request a quote for 邻氯苯胺基甲酸甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 邻氯苯胺基甲酸甲酯?
Yes, KEHONG BIO provides custom synthesis services for 邻氯苯胺基甲酸甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.