Ethyl(2-chloroethyl)(2-methylpropanoyl)carbamate
TL;DR: Ethyl(2-chloroethyl)(2-methylpropanoyl)carbamate (CAS 17102-03-3) is a chemical compound with molecular formula C9H16ClNO3 and molecular weight 221.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-(2-chloroethyl)-N-(2-methylpropanoyl)carbamate
Also Known As: 1,2-Benzenedimethanol,4-bromo, ethyl 2-chloroethyl(isobutyryl)carbamate, ethyl(2-chloroethyl)(2-methylpropanoyl)carbamate, ethyl N-(2-chloroethyl)-N-(2-methylpropanoyl)carbamate, Carbamic acid,(2-chloroethyl)isobutyryl-, ethyl ester (8CI)
| Molecular Formula | C9H16ClNO3 |
|---|---|
| Molecular Weight | 221.08 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 221.08188 |
| Heavy Atoms | 14 |
| Complexity | 206.0 |
Chemical Identifiers
| CAS Number | 17102-03-3 |
|---|---|
| SMILES | CCOC(=O)N(CCCl)C(=O)C(C)C |
| InChIKey | QSXHEGNDCCVKAF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl(2-chloroethyl)(2-methylpropanoyl)carbamate (CAS 17102-03-3), with molecular formula C9H16ClNO3 and molecular weight 221.08 g/mol. IUPAC: ethyl N-(2-chloroethyl)-N-(2-methylpropanoyl)carbamate.
Chemical Property Profile of Ethyl(2-chloroethyl)(2-methylpropanoyl)carbamate
Property Insights of Ethyl(2-chloroethyl)(2-methylpropanoyl)carbamate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl(2-chloroethyl)(2-methylpropanoyl)carbamate. With a topological polar surface area (TPSA) of 46.6 Ų, Ethyl(2-chloroethyl)(2-methylpropanoyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl(2-chloroethyl)(2-methylpropanoyl)carbamate has 0 hydrogen bond donor(s) and 3 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 Ethyl(2-chloroethyl)(2-methylpropanoyl)carbamate?
The CAS number of Ethyl(2-chloroethyl)(2-methylpropanoyl)carbamate is 17102-03-3.
What is the molecular formula of Ethyl(2-chloroethyl)(2-methylpropanoyl)carbamate?
The molecular formula of Ethyl(2-chloroethyl)(2-methylpropanoyl)carbamate is C9H16ClNO3.
What is the molecular weight of Ethyl(2-chloroethyl)(2-methylpropanoyl)carbamate?
The molecular weight of Ethyl(2-chloroethyl)(2-methylpropanoyl)carbamate is 221.08 g/mol.
Where can I buy Ethyl(2-chloroethyl)(2-methylpropanoyl)carbamate?
You can request a quote for Ethyl(2-chloroethyl)(2-methylpropanoyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl(2-chloroethyl)(2-methylpropanoyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl(2-chloroethyl)(2-methylpropanoyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.