4-Hydroxy-3-methylbutan-2-one
TL;DR: 4-Hydroxy-3-methylbutan-2-one (CAS 3393-64-4) is a chemical compound with molecular formula C5H10O2 and molecular weight 102.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-3-methylbutan-2-one
Also Known As: 4-HYDROXY-3-METHYL-2-BUTANONE, 4-Hydroxy-3-methylbutan-2-one, 4'-Nitrobenzanilide, 4-Hydroxy-3-methyl-butan-2-one, 3-(Hydroxymethyl)-2-butanone
| Molecular Formula | C5H10O2 |
|---|---|
| Molecular Weight | 102.07 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 | 102.06808 |
| Heavy Atoms | 7 |
| Complexity | 68.0 |
Chemical Identifiers
| CAS Number | 3393-64-4 |
|---|---|
| SMILES | CC(CO)C(=O)C |
| InChIKey | VVSRECWZBBJOTG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Hydroxy-3-methylbutan-2-one (CAS 3393-64-4), with molecular formula C5H10O2 and molecular weight 102.07 g/mol. IUPAC: 4-hydroxy-3-methylbutan-2-one.
Chemical Property Profile of 4-Hydroxy-3-methylbutan-2-one
Property Insights of 4-Hydroxy-3-methylbutan-2-one
The XLogP value of -0.2 indicates that 4-Hydroxy-3-methylbutan-2-one 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-3-methylbutan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hydroxy-3-methylbutan-2-one 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-methylbutan-2-one?
The CAS number of 4-Hydroxy-3-methylbutan-2-one is 3393-64-4.
What is the molecular formula of 4-Hydroxy-3-methylbutan-2-one?
The molecular formula of 4-Hydroxy-3-methylbutan-2-one is C5H10O2.
What is the molecular weight of 4-Hydroxy-3-methylbutan-2-one?
The molecular weight of 4-Hydroxy-3-methylbutan-2-one is 102.07 g/mol.
Where can I buy 4-Hydroxy-3-methylbutan-2-one?
You can request a quote for 4-Hydroxy-3-methylbutan-2-one 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-methylbutan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxy-3-methylbutan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.