5-Oxo-5-(4-thiomethylphenyl)valeric acid
TL;DR: 5-Oxo-5-(4-thiomethylphenyl)valeric acid (CAS 845790-49-0) 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.
5-(4-methylsulfanylphenyl)-5-oxopentanoic acid
Also Known As: 5-Oxo-5-(4-thiomethylphenyl)valeric acid, 5-(4-methylsulfanylphenyl)-5-oxopentanoic acid, 5-Oxo-5-(4-thioformylphenyl)pentanoic acid, 5-(4-methylsulfanylphenyl)-5-oxo-pentanoic Acid, 5-(4-(methylthio)phenyl)-5-oxopentanoic 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 | 845790-49-0 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)C(=O)CCCC(=O)O |
Product Overview
5-Oxo-5-(4-thiomethylphenyl)valeric acid (CAS 845790-49-0), with molecular formula C12H14O3S and molecular weight 238.07 g/mol. IUPAC: 5-(4-methylsulfanylphenyl)-5-oxopentanoic acid.
Chemical Property Profile of 5-Oxo-5-(4-thiomethylphenyl)valeric acid
Property Insights of 5-Oxo-5-(4-thiomethylphenyl)valeric acid
The XLogP value of 2.8461 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Oxo-5-(4-thiomethylphenyl)valeric acid. With a topological polar surface area (TPSA) of 54.37 Ų, 5-Oxo-5-(4-thiomethylphenyl)valeric acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Oxo-5-(4-thiomethylphenyl)valeric 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-Oxo-5-(4-thiomethylphenyl)valeric acid?
The CAS number of 5-Oxo-5-(4-thiomethylphenyl)valeric acid is 845790-49-0.
What is the molecular formula of 5-Oxo-5-(4-thiomethylphenyl)valeric acid?
The molecular formula of 5-Oxo-5-(4-thiomethylphenyl)valeric acid is C12H14O3S.
What is the molecular weight of 5-Oxo-5-(4-thiomethylphenyl)valeric acid?
The molecular weight of 5-Oxo-5-(4-thiomethylphenyl)valeric acid is 238.07 g/mol.
Where can I buy 5-Oxo-5-(4-thiomethylphenyl)valeric acid?
You can request a quote for 5-Oxo-5-(4-thiomethylphenyl)valeric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Oxo-5-(4-thiomethylphenyl)valeric acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Oxo-5-(4-thiomethylphenyl)valeric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.