Ethyl(2-chloroethyl)propanoylcarbamate
TL;DR: Ethyl(2-chloroethyl)propanoylcarbamate (CAS 136994-99-5) is a chemical compound with molecular formula C8H14ClNO3 and molecular weight 207.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-(2-chloroethyl)-N-propanoylcarbamate
Also Known As: ethyl(2-chloroethyl)propanoylcarbamate, ethyl N-(2-chloroethyl)-N-propanoylcarbamate, Ethyl (2-chloroethyl)(propanoyl)carbamate, N-<2-Chlor-ethyl>-N-propionyl-carbamidsaeure-ethylester, Carbamic acid,(2-chloroethyl)propionyl-, ethyl ester (8CI)
| Molecular Formula | C8H14ClNO3 |
|---|---|
| Molecular Weight | 207.07 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 207.06622 |
| Heavy Atoms | 13 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 136994-99-5 |
|---|---|
| SMILES | CCC(=O)N(CCCl)C(=O)OCC |
| InChIKey | AAYIGPHEBPHEIF-UHFFFAOYSA-N |
Product Overview
Ethyl(2-chloroethyl)propanoylcarbamate (CAS 136994-99-5), with molecular formula C8H14ClNO3 and molecular weight 207.07 g/mol. IUPAC: ethyl N-(2-chloroethyl)-N-propanoylcarbamate.
Chemical Property Profile of Ethyl(2-chloroethyl)propanoylcarbamate
Property Insights of Ethyl(2-chloroethyl)propanoylcarbamate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl(2-chloroethyl)propanoylcarbamate. With a topological polar surface area (TPSA) of 46.6 Ų, Ethyl(2-chloroethyl)propanoylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl(2-chloroethyl)propanoylcarbamate 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)propanoylcarbamate?
The CAS number of Ethyl(2-chloroethyl)propanoylcarbamate is 136994-99-5.
What is the molecular formula of Ethyl(2-chloroethyl)propanoylcarbamate?
The molecular formula of Ethyl(2-chloroethyl)propanoylcarbamate is C8H14ClNO3.
What is the molecular weight of Ethyl(2-chloroethyl)propanoylcarbamate?
The molecular weight of Ethyl(2-chloroethyl)propanoylcarbamate is 207.07 g/mol.
Where can I buy Ethyl(2-chloroethyl)propanoylcarbamate?
You can request a quote for Ethyl(2-chloroethyl)propanoylcarbamate 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)propanoylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl(2-chloroethyl)propanoylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.