Ethyl 3-(3-ethoxy-3-oxoprop-1-enyl)sulfanylprop-2-enoate
TL;DR: Ethyl 3-(3-ethoxy-3-oxoprop-1-enyl)sulfanylprop-2-enoate (CAS 20626-39-5) is a chemical compound with molecular formula C10H14O4S and molecular weight 230.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(3-ethoxy-3-oxoprop-1-enyl)sulfanylprop-2-enoate
Also Known As: 2-Propenoic acid, 3,3'-thiobis-, diethyl ester, (E,E)-, 2-Propenoic acid, 3,3'-thiobis-, diethyl ester, (Z,Z)-, ethyl 3-(3-ethoxy-3-oxoprop-1-enyl)sulfanylprop-2-enoate
| Molecular Formula | C10H14O4S |
|---|---|
| Molecular Weight | 230.06 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 77.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 230.06128 |
| Heavy Atoms | 15 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 20626-39-5 |
|---|---|
| SMILES | CCOC(=O)C=CSC=CC(=O)OCC |
| InChIKey | WXIVZEGISIHXKT-UHFFFAOYSA-N |
Product Overview
Ethyl 3-(3-ethoxy-3-oxoprop-1-enyl)sulfanylprop-2-enoate (CAS 20626-39-5), with molecular formula C10H14O4S and molecular weight 230.06 g/mol. IUPAC: ethyl 3-(3-ethoxy-3-oxoprop-1-enyl)sulfanylprop-2-enoate.
Chemical Property Profile of Ethyl 3-(3-ethoxy-3-oxoprop-1-enyl)sulfanylprop-2-enoate
Property Insights of Ethyl 3-(3-ethoxy-3-oxoprop-1-enyl)sulfanylprop-2-enoate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-(3-ethoxy-3-oxoprop-1-enyl)sulfanylprop-2-enoate. The TPSA of 77.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-(3-ethoxy-3-oxoprop-1-enyl)sulfanylprop-2-enoate. Following Lipinski's Rule of Five, Ethyl 3-(3-ethoxy-3-oxoprop-1-enyl)sulfanylprop-2-enoate has 0 hydrogen bond donor(s) and 5 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 3-(3-ethoxy-3-oxoprop-1-enyl)sulfanylprop-2-enoate?
The CAS number of Ethyl 3-(3-ethoxy-3-oxoprop-1-enyl)sulfanylprop-2-enoate is 20626-39-5.
What is the molecular formula of Ethyl 3-(3-ethoxy-3-oxoprop-1-enyl)sulfanylprop-2-enoate?
The molecular formula of Ethyl 3-(3-ethoxy-3-oxoprop-1-enyl)sulfanylprop-2-enoate is C10H14O4S.
What is the molecular weight of Ethyl 3-(3-ethoxy-3-oxoprop-1-enyl)sulfanylprop-2-enoate?
The molecular weight of Ethyl 3-(3-ethoxy-3-oxoprop-1-enyl)sulfanylprop-2-enoate is 230.06 g/mol.
Where can I buy Ethyl 3-(3-ethoxy-3-oxoprop-1-enyl)sulfanylprop-2-enoate?
You can request a quote for Ethyl 3-(3-ethoxy-3-oxoprop-1-enyl)sulfanylprop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(3-ethoxy-3-oxoprop-1-enyl)sulfanylprop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(3-ethoxy-3-oxoprop-1-enyl)sulfanylprop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.