3,3-Dimethyl-4-oxopentanoic acid
TL;DR: 3,3-Dimethyl-4-oxopentanoic acid (CAS 23461-67-8) is a chemical compound with molecular formula C7H12O3 and molecular weight 144.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethyl-4-oxopentanoic acid
Also Known As: 3,3-dimethyl-4-oxopentanoic acid, Pentanoic acid, 3,3-dimethyl-4-oxo-, 3,3-dimethyllevulinic acid, 3,3-dimethyl-4-oxo-valeric acid, 3,3-Dimethyl-4-oxo-pentanoic acid
| Molecular Formula | C7H12O3 |
|---|---|
| Molecular Weight | 144.08 g/mol |
| LogP | 1.0763 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 144.07864 |
| Heavy Atoms | 10 |
| Complexity | 158.23416 |
Chemical Identifiers
| CAS Number | 23461-67-8 |
|---|---|
| SMILES | CC(=O)C(C)(C)CC(=O)O |
Product Overview
3,3-Dimethyl-4-oxopentanoic acid (CAS 23461-67-8), with molecular formula C7H12O3 and molecular weight 144.08 g/mol. IUPAC: 3,3-dimethyl-4-oxopentanoic acid.
Chemical Property Profile of 3,3-Dimethyl-4-oxopentanoic acid
Property Insights of 3,3-Dimethyl-4-oxopentanoic acid
The XLogP value of 1.0763 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-Dimethyl-4-oxopentanoic acid. With a topological polar surface area (TPSA) of 54.37 Ų, 3,3-Dimethyl-4-oxopentanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Dimethyl-4-oxopentanoic 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 3,3-Dimethyl-4-oxopentanoic acid?
The CAS number of 3,3-Dimethyl-4-oxopentanoic acid is 23461-67-8.
What is the molecular formula of 3,3-Dimethyl-4-oxopentanoic acid?
The molecular formula of 3,3-Dimethyl-4-oxopentanoic acid is C7H12O3.
What is the molecular weight of 3,3-Dimethyl-4-oxopentanoic acid?
The molecular weight of 3,3-Dimethyl-4-oxopentanoic acid is 144.08 g/mol.
Where can I buy 3,3-Dimethyl-4-oxopentanoic acid?
You can request a quote for 3,3-Dimethyl-4-oxopentanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Dimethyl-4-oxopentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Dimethyl-4-oxopentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.