O-ethyl 3-(4-methoxyphenyl)prop-2-enethioate
TL;DR: O-ethyl 3-(4-methoxyphenyl)prop-2-enethioate (CAS 117666-83-8) is a chemical compound with molecular formula C12H14O2S and molecular weight 222.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-ethyl 3-(4-methoxyphenyl)prop-2-enethioate
Also Known As: 3-(4-Methoxyphenyl)-2-propenethioic acid O-ethyl ester
| Molecular Formula | C12H14O2S |
|---|---|
| Molecular Weight | 222.07 g/mol |
| LogP | 3.0723 |
| Topological Polar Surface Area | 18.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 222.07146 |
| Heavy Atoms | 15 |
| Complexity | 341.14468 |
Chemical Identifiers
| CAS Number | 117666-83-8 |
|---|---|
| SMILES | CCOC(=S)C=CC1=CC=C(C=C1)OC |
Product Overview
O-ethyl 3-(4-methoxyphenyl)prop-2-enethioate (CAS 117666-83-8), with molecular formula C12H14O2S and molecular weight 222.07 g/mol. IUPAC: O-ethyl 3-(4-methoxyphenyl)prop-2-enethioate.
Chemical Property Profile of O-ethyl 3-(4-methoxyphenyl)prop-2-enethioate
Property Insights of O-ethyl 3-(4-methoxyphenyl)prop-2-enethioate
The XLogP value of 3.0723 indicates that O-ethyl 3-(4-methoxyphenyl)prop-2-enethioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.46 Ų, O-ethyl 3-(4-methoxyphenyl)prop-2-enethioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-ethyl 3-(4-methoxyphenyl)prop-2-enethioate 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 O-ethyl 3-(4-methoxyphenyl)prop-2-enethioate?
The CAS number of O-ethyl 3-(4-methoxyphenyl)prop-2-enethioate is 117666-83-8.
What is the molecular formula of O-ethyl 3-(4-methoxyphenyl)prop-2-enethioate?
The molecular formula of O-ethyl 3-(4-methoxyphenyl)prop-2-enethioate is C12H14O2S.
What is the molecular weight of O-ethyl 3-(4-methoxyphenyl)prop-2-enethioate?
The molecular weight of O-ethyl 3-(4-methoxyphenyl)prop-2-enethioate is 222.07 g/mol.
Where can I buy O-ethyl 3-(4-methoxyphenyl)prop-2-enethioate?
You can request a quote for O-ethyl 3-(4-methoxyphenyl)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 O-ethyl 3-(4-methoxyphenyl)prop-2-enethioate?
Yes, KEHONG BIO provides custom synthesis services for O-ethyl 3-(4-methoxyphenyl)prop-2-enethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.