4-(3-Ethoxy-3-oxoprop-1-enyl)sulfanylbutanoic acid
TL;DR: 4-(3-Ethoxy-3-oxoprop-1-enyl)sulfanylbutanoic acid (CAS 41108-59-2) is a chemical compound with molecular formula C9H14O4S and molecular weight 218.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-ethoxy-3-oxoprop-1-enyl)sulfanylbutanoic acid
Also Known As: 4-((3-Ethoxy-3-oxo-1-propenyl)thio)butanoic acid, 4-(3-ethoxy-3-oxoprop-1-enyl)sulfanylbutanoic acid, 4-[(3-ethoxy-3-oxoprop-1-en-1-yl)sulfanyl]butanoic acid
| Molecular Formula | C9H14O4S |
|---|---|
| Molecular Weight | 218.06 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 88.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 218.06128 |
| Heavy Atoms | 14 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 41108-59-2 |
|---|---|
| SMILES | CCOC(=O)C=CSCCCC(=O)O |
| InChIKey | SFIHPVYPDBISGV-UHFFFAOYSA-N |
Product Overview
4-(3-Ethoxy-3-oxoprop-1-enyl)sulfanylbutanoic acid (CAS 41108-59-2), with molecular formula C9H14O4S and molecular weight 218.06 g/mol. IUPAC: 4-(3-ethoxy-3-oxoprop-1-enyl)sulfanylbutanoic acid.
Chemical Property Profile of 4-(3-Ethoxy-3-oxoprop-1-enyl)sulfanylbutanoic acid
Property Insights of 4-(3-Ethoxy-3-oxoprop-1-enyl)sulfanylbutanoic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-Ethoxy-3-oxoprop-1-enyl)sulfanylbutanoic acid. The TPSA of 88.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-Ethoxy-3-oxoprop-1-enyl)sulfanylbutanoic acid. Following Lipinski's Rule of Five, 4-(3-Ethoxy-3-oxoprop-1-enyl)sulfanylbutanoic acid has 1 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 4-(3-Ethoxy-3-oxoprop-1-enyl)sulfanylbutanoic acid?
The CAS number of 4-(3-Ethoxy-3-oxoprop-1-enyl)sulfanylbutanoic acid is 41108-59-2.
What is the molecular formula of 4-(3-Ethoxy-3-oxoprop-1-enyl)sulfanylbutanoic acid?
The molecular formula of 4-(3-Ethoxy-3-oxoprop-1-enyl)sulfanylbutanoic acid is C9H14O4S.
What is the molecular weight of 4-(3-Ethoxy-3-oxoprop-1-enyl)sulfanylbutanoic acid?
The molecular weight of 4-(3-Ethoxy-3-oxoprop-1-enyl)sulfanylbutanoic acid is 218.06 g/mol.
Where can I buy 4-(3-Ethoxy-3-oxoprop-1-enyl)sulfanylbutanoic acid?
You can request a quote for 4-(3-Ethoxy-3-oxoprop-1-enyl)sulfanylbutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-Ethoxy-3-oxoprop-1-enyl)sulfanylbutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Ethoxy-3-oxoprop-1-enyl)sulfanylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.