1-Hydroxy-3-methyl-2-butanone
TL;DR: 1-Hydroxy-3-methyl-2-butanone (CAS 36960-22-2) 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.
1-hydroxy-3-methylbutan-2-one
Also Known As: 1-hydroxy-3-methylbutan-2-one, 1-HYDROXY-3-METHYL-2-BUTANONE, Dimethylacetylcarbinol, 1-HYDROXY-3-METHYL-BUTAN-2-ONE, 2-Butanone, 1-hydroxy-3-methyl-
| Molecular Formula | C5H10O2 |
|---|---|
| Molecular Weight | 102.07 g/mol |
| LogP | 0.3 |
| 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 | 66.0 |
Chemical Identifiers
| CAS Number | 36960-22-2 |
|---|---|
| SMILES | CC(C)C(=O)CO |
| InChIKey | NBEGXSQMVJTIAR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Hydroxy-3-methyl-2-butanone (CAS 36960-22-2), with molecular formula C5H10O2 and molecular weight 102.07 g/mol. IUPAC: 1-hydroxy-3-methylbutan-2-one.
Chemical Property Profile of 1-Hydroxy-3-methyl-2-butanone
Property Insights of 1-Hydroxy-3-methyl-2-butanone
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Hydroxy-3-methyl-2-butanone. With a topological polar surface area (TPSA) of 37.3 Ų, 1-Hydroxy-3-methyl-2-butanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Hydroxy-3-methyl-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 1-Hydroxy-3-methyl-2-butanone?
The CAS number of 1-Hydroxy-3-methyl-2-butanone is 36960-22-2.
What is the molecular formula of 1-Hydroxy-3-methyl-2-butanone?
The molecular formula of 1-Hydroxy-3-methyl-2-butanone is C5H10O2.
What is the molecular weight of 1-Hydroxy-3-methyl-2-butanone?
The molecular weight of 1-Hydroxy-3-methyl-2-butanone is 102.07 g/mol.
Where can I buy 1-Hydroxy-3-methyl-2-butanone?
You can request a quote for 1-Hydroxy-3-methyl-2-butanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Hydroxy-3-methyl-2-butanone?
Yes, KEHONG BIO provides custom synthesis services for 1-Hydroxy-3-methyl-2-butanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.