![4-[4-(Ethylthio)phenyl]-4-oxobutyric acid structure](/static/products/7028/7028-68-4.webp)
4-[4-(Ethylthio)phenyl]-4-oxobutyric acid
TL;DR: 4-[4-(Ethylthio)phenyl]-4-oxobutyric acid (CAS 7028-68-4) is a chemical compound with molecular formula C12H14O3S and molecular weight 238.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-ethylsulfanylphenyl)-4-oxobutanoic acid
Also Known As: 4-(4-Ethylthiophenyl)-4-oxobutyric acid, 4-[4-(ethylthio)phenyl]-4-oxobutyric acid, 4-(4-ethylsulfanylphenyl)-4-oxobutanoic acid, 4-(4-Ethylthiophenyl)-4-oxobutyricacid, 4-(4-ethylsulfanylphenyl)-4-oxo-butanoic Acid
| Molecular Formula | C12H14O3S |
|---|---|
| Molecular Weight | 238.07 g/mol |
| LogP | 2.8461 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 238.06636 |
| Heavy Atoms | 16 |
| Complexity | 370.3552 |
Chemical Identifiers
| CAS Number | 7028-68-4 |
|---|---|
| SMILES | CCSC1=CC=C(C=C1)C(=O)CCC(=O)O |
Product Overview
4-[4-(Ethylthio)phenyl]-4-oxobutyric acid (CAS 7028-68-4), with molecular formula C12H14O3S and molecular weight 238.07 g/mol. IUPAC: 4-(4-ethylsulfanylphenyl)-4-oxobutanoic acid.
Chemical Property Profile of 4-[4-(Ethylthio)phenyl]-4-oxobutyric acid
Property Insights of 4-[4-(Ethylthio)phenyl]-4-oxobutyric acid
The XLogP value of 2.8461 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[4-(Ethylthio)phenyl]-4-oxobutyric acid. With a topological polar surface area (TPSA) of 54.37 Ų, 4-[4-(Ethylthio)phenyl]-4-oxobutyric acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[4-(Ethylthio)phenyl]-4-oxobutyric acid has 1 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 4-[4-(Ethylthio)phenyl]-4-oxobutyric acid?
The CAS number of 4-[4-(Ethylthio)phenyl]-4-oxobutyric acid is 7028-68-4.
What is the molecular formula of 4-[4-(Ethylthio)phenyl]-4-oxobutyric acid?
The molecular formula of 4-[4-(Ethylthio)phenyl]-4-oxobutyric acid is C12H14O3S.
What is the molecular weight of 4-[4-(Ethylthio)phenyl]-4-oxobutyric acid?
The molecular weight of 4-[4-(Ethylthio)phenyl]-4-oxobutyric acid is 238.07 g/mol.
Where can I buy 4-[4-(Ethylthio)phenyl]-4-oxobutyric acid?
You can request a quote for 4-[4-(Ethylthio)phenyl]-4-oxobutyric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[4-(Ethylthio)phenyl]-4-oxobutyric acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[4-(Ethylthio)phenyl]-4-oxobutyric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.