O-ethyl 3-(4-methoxy-3-propoxyphenyl)prop-2-enethioate
TL;DR: O-ethyl 3-(4-methoxy-3-propoxyphenyl)prop-2-enethioate (CAS 117666-85-0) is a chemical compound with molecular formula C15H20O3S and molecular weight 280.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-ethyl 3-(4-methoxy-3-propoxyphenyl)prop-2-enethioate
Also Known As: 3-(4-Methoxy-3-propoxyphenyl)-2-propenethioic acid O-ethyl ester
| Molecular Formula | C15H20O3S |
|---|---|
| Molecular Weight | 280.11 g/mol |
| LogP | 3.8611 |
| Topological Polar Surface Area | 27.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 280.1133 |
| Heavy Atoms | 19 |
| Complexity | 441.01688 |
Chemical Identifiers
| CAS Number | 117666-85-0 |
|---|---|
| SMILES | CCCOC1=C(C=CC(=C1)C=CC(=S)OCC)OC |
Product Overview
O-ethyl 3-(4-methoxy-3-propoxyphenyl)prop-2-enethioate (CAS 117666-85-0), with molecular formula C15H20O3S and molecular weight 280.11 g/mol. IUPAC: O-ethyl 3-(4-methoxy-3-propoxyphenyl)prop-2-enethioate.
Chemical Property Profile of O-ethyl 3-(4-methoxy-3-propoxyphenyl)prop-2-enethioate
Property Insights of O-ethyl 3-(4-methoxy-3-propoxyphenyl)prop-2-enethioate
The XLogP value of 3.8611 indicates that O-ethyl 3-(4-methoxy-3-propoxyphenyl)prop-2-enethioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.69 Ų, O-ethyl 3-(4-methoxy-3-propoxyphenyl)prop-2-enethioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-ethyl 3-(4-methoxy-3-propoxyphenyl)prop-2-enethioate 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 O-ethyl 3-(4-methoxy-3-propoxyphenyl)prop-2-enethioate?
The CAS number of O-ethyl 3-(4-methoxy-3-propoxyphenyl)prop-2-enethioate is 117666-85-0.
What is the molecular formula of O-ethyl 3-(4-methoxy-3-propoxyphenyl)prop-2-enethioate?
The molecular formula of O-ethyl 3-(4-methoxy-3-propoxyphenyl)prop-2-enethioate is C15H20O3S.
What is the molecular weight of O-ethyl 3-(4-methoxy-3-propoxyphenyl)prop-2-enethioate?
The molecular weight of O-ethyl 3-(4-methoxy-3-propoxyphenyl)prop-2-enethioate is 280.11 g/mol.
Where can I buy O-ethyl 3-(4-methoxy-3-propoxyphenyl)prop-2-enethioate?
You can request a quote for O-ethyl 3-(4-methoxy-3-propoxyphenyl)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-methoxy-3-propoxyphenyl)prop-2-enethioate?
Yes, KEHONG BIO provides custom synthesis services for O-ethyl 3-(4-methoxy-3-propoxyphenyl)prop-2-enethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.