4-Hydroxy-3-methyl-2-pentanone
TL;DR: 4-Hydroxy-3-methyl-2-pentanone (CAS 565-79-7) is a chemical compound with molecular formula C6H12O2 and molecular weight 116.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-3-methylpentan-2-one
Also Known As: 4-Hydroxy-3-methylpentan-2-one, 4-hydroxy-3-methyl-2-pentanone, 3-Methyl-4-hydroxy-2-pentanone, 4-hydroxy-3-methyl-pentan-2-one, 3-Methyl-4-hydroxypentane-2-one
| Molecular Formula | C6H12O2 |
|---|---|
| Molecular Weight | 116.08 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 116.08373 |
| Heavy Atoms | 8 |
| Complexity | 88.0 |
Chemical Identifiers
| CAS Number | 565-79-7 |
|---|---|
| SMILES | CC(C(C)O)C(=O)C |
| InChIKey | ZXZUCILLTLHIBZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Hydroxy-3-methyl-2-pentanone (CAS 565-79-7), with molecular formula C6H12O2 and molecular weight 116.08 g/mol. IUPAC: 4-hydroxy-3-methylpentan-2-one.
Chemical Property Profile of 4-Hydroxy-3-methyl-2-pentanone
Property Insights of 4-Hydroxy-3-methyl-2-pentanone
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxy-3-methyl-2-pentanone. With a topological polar surface area (TPSA) of 37.3 Ų, 4-Hydroxy-3-methyl-2-pentanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hydroxy-3-methyl-2-pentanone 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 4-Hydroxy-3-methyl-2-pentanone?
The CAS number of 4-Hydroxy-3-methyl-2-pentanone is 565-79-7.
What is the molecular formula of 4-Hydroxy-3-methyl-2-pentanone?
The molecular formula of 4-Hydroxy-3-methyl-2-pentanone is C6H12O2.
What is the molecular weight of 4-Hydroxy-3-methyl-2-pentanone?
The molecular weight of 4-Hydroxy-3-methyl-2-pentanone is 116.08 g/mol.
Where can I buy 4-Hydroxy-3-methyl-2-pentanone?
You can request a quote for 4-Hydroxy-3-methyl-2-pentanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxy-3-methyl-2-pentanone?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxy-3-methyl-2-pentanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.