3-Methyl-5-oxo-5-phenylvaleric acid
TL;DR: 3-Methyl-5-oxo-5-phenylvaleric acid (CAS 2840-61-1) is a chemical compound with molecular formula C12H14O3 and molecular weight 206.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-5-oxo-5-phenylpentanoic acid
Also Known As: 3-methyl-5-oxo-5-phenylpentanoic acid, 3-Methyl-5-oxo-5-phenylvaleric acid, 3-methy-5-oxo-5-phenylpentanoic acid, 3-Methyl-4-benzoylbutyric acid, 3-methyl-5-oxo-5-phenyl-pentanoic Acid
| Molecular Formula | C12H14O3 |
|---|---|
| Molecular Weight | 206.09 g/mol |
| LogP | 2.3702 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 206.0943 |
| Heavy Atoms | 15 |
| Complexity | 343.14468 |
Chemical Identifiers
| CAS Number | 2840-61-1 |
|---|---|
| SMILES | CC(CC(=O)C1=CC=CC=C1)CC(=O)O |
Product Overview
3-Methyl-5-oxo-5-phenylvaleric acid (CAS 2840-61-1), with molecular formula C12H14O3 and molecular weight 206.09 g/mol. IUPAC: 3-methyl-5-oxo-5-phenylpentanoic acid.
Chemical Property Profile of 3-Methyl-5-oxo-5-phenylvaleric acid
Property Insights of 3-Methyl-5-oxo-5-phenylvaleric acid
The XLogP value of 2.3702 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-5-oxo-5-phenylvaleric acid. With a topological polar surface area (TPSA) of 54.37 Ų, 3-Methyl-5-oxo-5-phenylvaleric acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-5-oxo-5-phenylvaleric acid has 1 hydrogen bond donor(s) and 2 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 3-Methyl-5-oxo-5-phenylvaleric acid?
The CAS number of 3-Methyl-5-oxo-5-phenylvaleric acid is 2840-61-1.
What is the molecular formula of 3-Methyl-5-oxo-5-phenylvaleric acid?
The molecular formula of 3-Methyl-5-oxo-5-phenylvaleric acid is C12H14O3.
What is the molecular weight of 3-Methyl-5-oxo-5-phenylvaleric acid?
The molecular weight of 3-Methyl-5-oxo-5-phenylvaleric acid is 206.09 g/mol.
Where can I buy 3-Methyl-5-oxo-5-phenylvaleric acid?
You can request a quote for 3-Methyl-5-oxo-5-phenylvaleric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-5-oxo-5-phenylvaleric acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-5-oxo-5-phenylvaleric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.