2-Chloroethyl N-(2,6-xylyl)carbamate
TL;DR: 2-Chloroethyl N-(2,6-xylyl)carbamate (CAS 100129-63-3) is a chemical compound with molecular formula C11H14ClNO2 and molecular weight 227.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloroethyl N-(2,6-dimethylphenyl)carbamate
Also Known As: 2-CHLOROETHYL N-(2,6-XYLYL)CARBAMATE, 2-chloroethyl N-(2,6-dimethylphenyl)carbamate, N-(2-chloroethoxycarbonyl)-2,6-dimethylaniline, 2-Chloroethyl 2,6-Dimethyl-carbanilic Ester, 2-Chloroethyl 2,6-Dimethyl-carbanilic Ester;
| Molecular Formula | C11H14ClNO2 |
|---|---|
| Molecular Weight | 227.07 g/mol |
| LogP | 3.09074 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 227.0713 |
| Heavy Atoms | 15 |
| Complexity | 332.1912 |
Chemical Identifiers
| CAS Number | 100129-63-3 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)NC(=O)OCCCl |
Product Overview
2-Chloroethyl N-(2,6-xylyl)carbamate (CAS 100129-63-3), with molecular formula C11H14ClNO2 and molecular weight 227.07 g/mol. IUPAC: 2-chloroethyl N-(2,6-dimethylphenyl)carbamate.
Chemical Property Profile of 2-Chloroethyl N-(2,6-xylyl)carbamate
Property Insights of 2-Chloroethyl N-(2,6-xylyl)carbamate
The XLogP value of 3.09074 indicates that 2-Chloroethyl N-(2,6-xylyl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.33 Ų, 2-Chloroethyl N-(2,6-xylyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloroethyl N-(2,6-xylyl)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 2-Chloroethyl N-(2,6-xylyl)carbamate?
The CAS number of 2-Chloroethyl N-(2,6-xylyl)carbamate is 100129-63-3.
What is the molecular formula of 2-Chloroethyl N-(2,6-xylyl)carbamate?
The molecular formula of 2-Chloroethyl N-(2,6-xylyl)carbamate is C11H14ClNO2.
What is the molecular weight of 2-Chloroethyl N-(2,6-xylyl)carbamate?
The molecular weight of 2-Chloroethyl N-(2,6-xylyl)carbamate is 227.07 g/mol.
Where can I buy 2-Chloroethyl N-(2,6-xylyl)carbamate?
You can request a quote for 2-Chloroethyl N-(2,6-xylyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloroethyl N-(2,6-xylyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloroethyl N-(2,6-xylyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.