S-(4-chlorophenyl) 3-(4-ethoxyphenyl)prop-2-enethioate
TL;DR: S-(4-chlorophenyl) 3-(4-ethoxyphenyl)prop-2-enethioate (CAS 298217-85-3) is a chemical compound with molecular formula C17H15ClO2S and molecular weight 318.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(4-chlorophenyl) 3-(4-ethoxyphenyl)prop-2-enethioate
Also Known As: TimTec1_005118, S-(4-chlorophenyl) 3-(4-ethoxyphenyl)prop-2-enethioate, S-(4-chlorophenyl) (E)-3-(4-ethoxyphenyl)-2-propenethioate
| Molecular Formula | C17H15ClO2S |
|---|---|
| Molecular Weight | 318.05 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 318.04813 |
| Heavy Atoms | 21 |
| Complexity | 343.0 |
Chemical Identifiers
| CAS Number | 298217-85-3 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C=CC(=O)SC2=CC=C(C=C2)Cl |
| InChIKey | SLPQOTDLSRIWMG-UHFFFAOYSA-N |
Product Overview
S-(4-chlorophenyl) 3-(4-ethoxyphenyl)prop-2-enethioate (CAS 298217-85-3), with molecular formula C17H15ClO2S and molecular weight 318.05 g/mol. IUPAC: S-(4-chlorophenyl) 3-(4-ethoxyphenyl)prop-2-enethioate.
Chemical Property Profile of S-(4-chlorophenyl) 3-(4-ethoxyphenyl)prop-2-enethioate
Property Insights of S-(4-chlorophenyl) 3-(4-ethoxyphenyl)prop-2-enethioate
The XLogP value of 5.3 indicates that S-(4-chlorophenyl) 3-(4-ethoxyphenyl)prop-2-enethioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.6 Ų, S-(4-chlorophenyl) 3-(4-ethoxyphenyl)prop-2-enethioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-(4-chlorophenyl) 3-(4-ethoxyphenyl)prop-2-enethioate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of S-(4-chlorophenyl) 3-(4-ethoxyphenyl)prop-2-enethioate?
The CAS number of S-(4-chlorophenyl) 3-(4-ethoxyphenyl)prop-2-enethioate is 298217-85-3.
What is the molecular formula of S-(4-chlorophenyl) 3-(4-ethoxyphenyl)prop-2-enethioate?
The molecular formula of S-(4-chlorophenyl) 3-(4-ethoxyphenyl)prop-2-enethioate is C17H15ClO2S.
What is the molecular weight of S-(4-chlorophenyl) 3-(4-ethoxyphenyl)prop-2-enethioate?
The molecular weight of S-(4-chlorophenyl) 3-(4-ethoxyphenyl)prop-2-enethioate is 318.05 g/mol.
Where can I buy S-(4-chlorophenyl) 3-(4-ethoxyphenyl)prop-2-enethioate?
You can request a quote for S-(4-chlorophenyl) 3-(4-ethoxyphenyl)prop-2-enethioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(4-chlorophenyl) 3-(4-ethoxyphenyl)prop-2-enethioate?
Yes, KEHONG BIO provides custom synthesis services for S-(4-chlorophenyl) 3-(4-ethoxyphenyl)prop-2-enethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.