Ethyl 1-(benzylsulfanyl)-2,2,2-trichloroethylcarbamate
TL;DR: Ethyl 1-(benzylsulfanyl)-2,2,2-trichloroethylcarbamate (CAS 300669-88-9) is a chemical compound with molecular formula C12H14Cl3NO2S and molecular weight 340.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-(1-benzylsulfanyl-2,2,2-trichloroethyl)carbamate
Also Known As: ethyl 1-(benzylsulfanyl)-2,2,2-trichloroethylcarbamate, ethyl N-(1-benzylsulfanyl-2,2,2-trichloroethyl)carbamate, ethyl [1-(benzylsulfanyl)-2,2,2-trichloroethyl]carbamate
| Molecular Formula | C12H14Cl3NO2S |
|---|---|
| Molecular Weight | 340.98 g/mol |
| LogP | 4.3622 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 340.98108 |
| Heavy Atoms | 19 |
| Complexity | 397.711 |
Chemical Identifiers
| CAS Number | 300669-88-9 |
|---|---|
| SMILES | CCOC(=O)NC(C(Cl)(Cl)Cl)SCC1=CC=CC=C1 |
Product Overview
Ethyl 1-(benzylsulfanyl)-2,2,2-trichloroethylcarbamate (CAS 300669-88-9), with molecular formula C12H14Cl3NO2S and molecular weight 340.98 g/mol. IUPAC: ethyl N-(1-benzylsulfanyl-2,2,2-trichloroethyl)carbamate.
Chemical Property Profile of Ethyl 1-(benzylsulfanyl)-2,2,2-trichloroethylcarbamate
Property Insights of Ethyl 1-(benzylsulfanyl)-2,2,2-trichloroethylcarbamate
The XLogP value of 4.3622 indicates that Ethyl 1-(benzylsulfanyl)-2,2,2-trichloroethylcarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.33 Ų, Ethyl 1-(benzylsulfanyl)-2,2,2-trichloroethylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 1-(benzylsulfanyl)-2,2,2-trichloroethylcarbamate 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 1-(benzylsulfanyl)-2,2,2-trichloroethylcarbamate?
The CAS number of Ethyl 1-(benzylsulfanyl)-2,2,2-trichloroethylcarbamate is 300669-88-9.
What is the molecular formula of Ethyl 1-(benzylsulfanyl)-2,2,2-trichloroethylcarbamate?
The molecular formula of Ethyl 1-(benzylsulfanyl)-2,2,2-trichloroethylcarbamate is C12H14Cl3NO2S.
What is the molecular weight of Ethyl 1-(benzylsulfanyl)-2,2,2-trichloroethylcarbamate?
The molecular weight of Ethyl 1-(benzylsulfanyl)-2,2,2-trichloroethylcarbamate is 340.98 g/mol.
Where can I buy Ethyl 1-(benzylsulfanyl)-2,2,2-trichloroethylcarbamate?
You can request a quote for Ethyl 1-(benzylsulfanyl)-2,2,2-trichloroethylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1-(benzylsulfanyl)-2,2,2-trichloroethylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-(benzylsulfanyl)-2,2,2-trichloroethylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.