![5-[4-(Ethylthio)phenyl]-5-oxovaleric acid structure](/static/products/845/845790-39-8.png)
5-[4-(Ethylthio)phenyl]-5-oxovaleric acid
TL;DR: 5-[4-(Ethylthio)phenyl]-5-oxovaleric acid (CAS 845790-39-8) is a chemical compound with molecular formula C13H16O3S and molecular weight 252.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-ethylsulfanylphenyl)-5-oxopentanoic acid
Also Known As: 5-(4-Ethylthiophenyl)-5-oxovaleric acid, 5-[4-(ethylthio)phenyl]-5-oxovaleric acid, 5-(4-ethylsulfanylphenyl)-5-oxopentanoic acid, 5-(4-Ethylthiophenyl)-5-oxovalericacid, 5-(4-ethylsulfanylphenyl)-5-oxo-pentanoic Acid
| Molecular Formula | C13H16O3S |
|---|---|
| Molecular Weight | 252.08 g/mol |
| LogP | 3.2362 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 252.08202 |
| Heavy Atoms | 17 |
| Complexity | 384.15598 |
Chemical Identifiers
| CAS Number | 845790-39-8 |
|---|---|
| SMILES | CCSC1=CC=C(C=C1)C(=O)CCCC(=O)O |
Product Overview
5-[4-(Ethylthio)phenyl]-5-oxovaleric acid (CAS 845790-39-8), with molecular formula C13H16O3S and molecular weight 252.08 g/mol. IUPAC: 5-(4-ethylsulfanylphenyl)-5-oxopentanoic acid.
Chemical Property Profile of 5-[4-(Ethylthio)phenyl]-5-oxovaleric acid
Property Insights of 5-[4-(Ethylthio)phenyl]-5-oxovaleric acid
The XLogP value of 3.2362 indicates that 5-[4-(Ethylthio)phenyl]-5-oxovaleric acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.37 Ų, 5-[4-(Ethylthio)phenyl]-5-oxovaleric acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-[4-(Ethylthio)phenyl]-5-oxovaleric 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 5-[4-(Ethylthio)phenyl]-5-oxovaleric acid?
The CAS number of 5-[4-(Ethylthio)phenyl]-5-oxovaleric acid is 845790-39-8.
What is the molecular formula of 5-[4-(Ethylthio)phenyl]-5-oxovaleric acid?
The molecular formula of 5-[4-(Ethylthio)phenyl]-5-oxovaleric acid is C13H16O3S.
What is the molecular weight of 5-[4-(Ethylthio)phenyl]-5-oxovaleric acid?
The molecular weight of 5-[4-(Ethylthio)phenyl]-5-oxovaleric acid is 252.08 g/mol.
Where can I buy 5-[4-(Ethylthio)phenyl]-5-oxovaleric acid?
You can request a quote for 5-[4-(Ethylthio)phenyl]-5-oxovaleric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[4-(Ethylthio)phenyl]-5-oxovaleric acid?
Yes, KEHONG BIO provides custom synthesis services for 5-[4-(Ethylthio)phenyl]-5-oxovaleric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.