Ethanethioic acid, (4-chlorophenoxy)-, S-(2-(diethylamino)ethyl) ester
TL;DR: Ethanethioic acid, (4-chlorophenoxy)-, S-(2-(diethylamino)ethyl) ester (CAS 4195-39-5) is a chemical compound with molecular formula C14H20ClNO2S and molecular weight 301.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[2-(diethylamino)ethyl] 2-(4-chlorophenoxy)ethanethioate
Also Known As: S-(2-Diethylaminoethyl) (4-chlorophenoxy)ethanethioate, Ethanethioic acid, (4-chlorophenoxy)-, S-(2-(diethylamino)ethyl) ester, S-(2-diethylaminoethyl) 2-(4-chlorophenoxy)ethanethioate, S-[2-(Diethylamino)ethyl] (4-chlorophenoxy)ethanethioate, BRN 2218467
| Molecular Formula | C14H20ClNO2S |
|---|---|
| Molecular Weight | 301.09 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 54.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 301.09033 |
| Heavy Atoms | 19 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 4195-39-5 |
|---|---|
| SMILES | CCN(CC)CCSC(=O)COC1=CC=C(C=C1)Cl |
| InChIKey | MUJFJHAWYXQMPB-UHFFFAOYSA-N |
Product Overview
Ethanethioic acid, (4-chlorophenoxy)-, S-(2-(diethylamino)ethyl) ester (CAS 4195-39-5), with molecular formula C14H20ClNO2S and molecular weight 301.09 g/mol. IUPAC: S-[2-(diethylamino)ethyl] 2-(4-chlorophenoxy)ethanethioate.
Chemical Property Profile of Ethanethioic acid, (4-chlorophenoxy)-, S-(2-(diethylamino)ethyl) ester
Property Insights of Ethanethioic acid, (4-chlorophenoxy)-, S-(2-(diethylamino)ethyl) ester
The XLogP value of 3.8 indicates that Ethanethioic acid, (4-chlorophenoxy)-, S-(2-(diethylamino)ethyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.8 Ų, Ethanethioic acid, (4-chlorophenoxy)-, S-(2-(diethylamino)ethyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanethioic acid, (4-chlorophenoxy)-, S-(2-(diethylamino)ethyl) ester has 0 hydrogen bond donor(s) and 4 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 Ethanethioic acid, (4-chlorophenoxy)-, S-(2-(diethylamino)ethyl) ester?
The CAS number of Ethanethioic acid, (4-chlorophenoxy)-, S-(2-(diethylamino)ethyl) ester is 4195-39-5.
What is the molecular formula of Ethanethioic acid, (4-chlorophenoxy)-, S-(2-(diethylamino)ethyl) ester?
The molecular formula of Ethanethioic acid, (4-chlorophenoxy)-, S-(2-(diethylamino)ethyl) ester is C14H20ClNO2S.
What is the molecular weight of Ethanethioic acid, (4-chlorophenoxy)-, S-(2-(diethylamino)ethyl) ester?
The molecular weight of Ethanethioic acid, (4-chlorophenoxy)-, S-(2-(diethylamino)ethyl) ester is 301.09 g/mol.
Where can I buy Ethanethioic acid, (4-chlorophenoxy)-, S-(2-(diethylamino)ethyl) ester?
You can request a quote for Ethanethioic acid, (4-chlorophenoxy)-, S-(2-(diethylamino)ethyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanethioic acid, (4-chlorophenoxy)-, S-(2-(diethylamino)ethyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Ethanethioic acid, (4-chlorophenoxy)-, S-(2-(diethylamino)ethyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.