Ethyl 2,2,2-trichloro-1-(diethylamino)ethylcarbamate
TL;DR: Ethyl 2,2,2-trichloro-1-(diethylamino)ethylcarbamate (CAS 127599-63-7) is a chemical compound with molecular formula C9H17Cl3N2O2 and molecular weight 290.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[2,2,2-trichloro-1-(diethylamino)ethyl]carbamate
Also Known As: ethyl 2,2,2-trichloro-1-(diethylamino)ethylcarbamate, ethyl n-(1-(diethylamino)-2,2,2-trichloroethyl)carbamate, Ethyl N-(2,2,2-trichloro-1-diethylamino-ethyl)carbamate, ethyl N-[2,2,2-trichloro-1-(diethylamino)ethyl]carbamate
| Molecular Formula | C9H17Cl3N2O2 |
|---|---|
| Molecular Weight | 290.04 g/mol |
| LogP | 2.7706 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 290.03555 |
| Heavy Atoms | 16 |
| Complexity | 217.28986 |
Chemical Identifiers
| CAS Number | 127599-63-7 |
|---|---|
| SMILES | CCN(CC)C(C(Cl)(Cl)Cl)NC(=O)OCC |
Product Overview
Ethyl 2,2,2-trichloro-1-(diethylamino)ethylcarbamate (CAS 127599-63-7), with molecular formula C9H17Cl3N2O2 and molecular weight 290.04 g/mol. IUPAC: ethyl N-[2,2,2-trichloro-1-(diethylamino)ethyl]carbamate.
Chemical Property Profile of Ethyl 2,2,2-trichloro-1-(diethylamino)ethylcarbamate
Property Insights of Ethyl 2,2,2-trichloro-1-(diethylamino)ethylcarbamate
The XLogP value of 2.7706 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2,2,2-trichloro-1-(diethylamino)ethylcarbamate. With a topological polar surface area (TPSA) of 41.57 Ų, Ethyl 2,2,2-trichloro-1-(diethylamino)ethylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2,2,2-trichloro-1-(diethylamino)ethylcarbamate has 1 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 2,2,2-trichloro-1-(diethylamino)ethylcarbamate?
The CAS number of Ethyl 2,2,2-trichloro-1-(diethylamino)ethylcarbamate is 127599-63-7.
What is the molecular formula of Ethyl 2,2,2-trichloro-1-(diethylamino)ethylcarbamate?
The molecular formula of Ethyl 2,2,2-trichloro-1-(diethylamino)ethylcarbamate is C9H17Cl3N2O2.
What is the molecular weight of Ethyl 2,2,2-trichloro-1-(diethylamino)ethylcarbamate?
The molecular weight of Ethyl 2,2,2-trichloro-1-(diethylamino)ethylcarbamate is 290.04 g/mol.
Where can I buy Ethyl 2,2,2-trichloro-1-(diethylamino)ethylcarbamate?
You can request a quote for Ethyl 2,2,2-trichloro-1-(diethylamino)ethylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2,2,2-trichloro-1-(diethylamino)ethylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2,2,2-trichloro-1-(diethylamino)ethylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.