4,4-Dimethyl-5-oxo-5-phenylpentanoic acid
TL;DR: 4,4-Dimethyl-5-oxo-5-phenylpentanoic acid (CAS 2938-68-3) is a chemical compound with molecular formula C13H16O3 and molecular weight 220.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethyl-5-oxo-5-phenylpentanoic acid
Also Known As: 4,4-dimethyl-5-oxo-5-phenylpentanoic acid
| Molecular Formula | C13H16O3 |
|---|---|
| Molecular Weight | 220.11 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 220.10994 |
| Heavy Atoms | 16 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 2938-68-3 |
|---|---|
| SMILES | CC(C)(CCC(=O)O)C(=O)C1=CC=CC=C1 |
| InChIKey | LXKOAWNQKIDILE-UHFFFAOYSA-N |
Product Overview
4,4-Dimethyl-5-oxo-5-phenylpentanoic acid (CAS 2938-68-3), with molecular formula C13H16O3 and molecular weight 220.11 g/mol. IUPAC: 4,4-dimethyl-5-oxo-5-phenylpentanoic acid.
Chemical Property Profile of 4,4-Dimethyl-5-oxo-5-phenylpentanoic acid
Property Insights of 4,4-Dimethyl-5-oxo-5-phenylpentanoic acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4-Dimethyl-5-oxo-5-phenylpentanoic acid. With a topological polar surface area (TPSA) of 54.4 Ų, 4,4-Dimethyl-5-oxo-5-phenylpentanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4-Dimethyl-5-oxo-5-phenylpentanoic 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-Dimethyl-5-oxo-5-phenylpentanoic acid?
The CAS number of 4,4-Dimethyl-5-oxo-5-phenylpentanoic acid is 2938-68-3.
What is the molecular formula of 4,4-Dimethyl-5-oxo-5-phenylpentanoic acid?
The molecular formula of 4,4-Dimethyl-5-oxo-5-phenylpentanoic acid is C13H16O3.
What is the molecular weight of 4,4-Dimethyl-5-oxo-5-phenylpentanoic acid?
The molecular weight of 4,4-Dimethyl-5-oxo-5-phenylpentanoic acid is 220.11 g/mol.
Where can I buy 4,4-Dimethyl-5-oxo-5-phenylpentanoic acid?
You can request a quote for 4,4-Dimethyl-5-oxo-5-phenylpentanoic 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-Dimethyl-5-oxo-5-phenylpentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4,4-Dimethyl-5-oxo-5-phenylpentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.