4-Hydroxymethyl-2-pentone
TL;DR: 4-Hydroxymethyl-2-pentone (CAS 66309-84-0) 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.
5-hydroxy-4-methylpentan-2-one
Also Known As: 4-(hydroxymethyl)-2-pentanone, 4-Hydroxymethyl-2-pentone, 4-hydroxymethylpentan-2-one, 5-hydroxy-4-methylpentan-2-one, 5-Hydroxy-4-methyl-2-pentanone
| Molecular Formula | C6H12O2 |
|---|---|
| Molecular Weight | 116.08 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 116.08373 |
| Heavy Atoms | 8 |
| Complexity | 78.0 |
Chemical Identifiers
| CAS Number | 66309-84-0 |
|---|---|
| SMILES | CC(CC(=O)C)CO |
| InChIKey | NZBRXFKHZBOFBW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Hydroxymethyl-2-pentone (CAS 66309-84-0), with molecular formula C6H12O2 and molecular weight 116.08 g/mol. IUPAC: 5-hydroxy-4-methylpentan-2-one.
Chemical Property Profile of 4-Hydroxymethyl-2-pentone
Property Insights of 4-Hydroxymethyl-2-pentone
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxymethyl-2-pentone. With a topological polar surface area (TPSA) of 37.3 Ų, 4-Hydroxymethyl-2-pentone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hydroxymethyl-2-pentone 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-Hydroxymethyl-2-pentone?
The CAS number of 4-Hydroxymethyl-2-pentone is 66309-84-0.
What is the molecular formula of 4-Hydroxymethyl-2-pentone?
The molecular formula of 4-Hydroxymethyl-2-pentone is C6H12O2.
What is the molecular weight of 4-Hydroxymethyl-2-pentone?
The molecular weight of 4-Hydroxymethyl-2-pentone is 116.08 g/mol.
Where can I buy 4-Hydroxymethyl-2-pentone?
You can request a quote for 4-Hydroxymethyl-2-pentone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxymethyl-2-pentone?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxymethyl-2-pentone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.