4-Hydroxy-2-Butanone
TL;DR: 4-Hydroxy-2-Butanone (CAS 590-90-9) is a chemical compound with molecular formula C4H8O2 and molecular weight 88.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxybutan-2-one
Also Known As: 4-Hydroxy-2-butanone, 4-Hydroxybutan-2-one, Methylolacetone, 3-Oxobutanol, 2-Butanone, 4-hydroxy-
| Molecular Formula | C4H8O2 |
|---|---|
| Molecular Weight | 88.05 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 88.05243 |
| Heavy Atoms | 6 |
| Complexity | 49.0 |
| Vapor Pressure | 0.85 [mmHg] |
Chemical Identifiers
| CAS Number | 590-90-9 |
|---|---|
| SMILES | CC(=O)CCO |
| InChIKey | LVSQXDHWDCMMRJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Hydroxy-2-Butanone (CAS 590-90-9), with molecular formula C4H8O2 and molecular weight 88.05 g/mol. IUPAC: 4-hydroxybutan-2-one.
Chemical Property Profile of 4-Hydroxy-2-Butanone
Property Insights of 4-Hydroxy-2-Butanone
The XLogP value of -0.8 indicates that 4-Hydroxy-2-Butanone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 37.3 Ų, 4-Hydroxy-2-Butanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hydroxy-2-Butanone 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-2-Butanone?
The CAS number of 4-Hydroxy-2-Butanone is 590-90-9.
What is the molecular formula of 4-Hydroxy-2-Butanone?
The molecular formula of 4-Hydroxy-2-Butanone is C4H8O2.
What is the molecular weight of 4-Hydroxy-2-Butanone?
The molecular weight of 4-Hydroxy-2-Butanone is 88.05 g/mol.
Where can I buy 4-Hydroxy-2-Butanone?
You can request a quote for 4-Hydroxy-2-Butanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxy-2-Butanone?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxy-2-Butanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.