3-Pentanone, 1-hydroxy-2-methyl-
TL;DR: 3-Pentanone, 1-hydroxy-2-methyl- (CAS 33649-73-9) 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.
1-hydroxy-2-methylpentan-3-one
Also Known As: 1-hydroxy-2-methylpentan-3-one, 3-Pentanone, 1-hydroxy-2-methyl-, 1-hydroxy-2-methyl-3-pentanone, hydroxy-2-methyl-pentanone, 3-Pentanone,1-hydroxy-2-methyl-
| 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 | 3 |
| Exact Mass | 116.08373 |
| Heavy Atoms | 8 |
| Complexity | 78.0 |
Chemical Identifiers
| CAS Number | 33649-73-9 |
|---|---|
| SMILES | CCC(=O)C(C)CO |
| InChIKey | JYEMLYGXHDIVRA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Pentanone, 1-hydroxy-2-methyl- (CAS 33649-73-9), with molecular formula C6H12O2 and molecular weight 116.08 g/mol. IUPAC: 1-hydroxy-2-methylpentan-3-one.
Chemical Property Profile of 3-Pentanone, 1-hydroxy-2-methyl-
Property Insights of 3-Pentanone, 1-hydroxy-2-methyl-
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Pentanone, 1-hydroxy-2-methyl-. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Pentanone, 1-hydroxy-2-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Pentanone, 1-hydroxy-2-methyl- 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 3-Pentanone, 1-hydroxy-2-methyl-?
The CAS number of 3-Pentanone, 1-hydroxy-2-methyl- is 33649-73-9.
What is the molecular formula of 3-Pentanone, 1-hydroxy-2-methyl-?
The molecular formula of 3-Pentanone, 1-hydroxy-2-methyl- is C6H12O2.
What is the molecular weight of 3-Pentanone, 1-hydroxy-2-methyl-?
The molecular weight of 3-Pentanone, 1-hydroxy-2-methyl- is 116.08 g/mol.
Where can I buy 3-Pentanone, 1-hydroxy-2-methyl-?
You can request a quote for 3-Pentanone, 1-hydroxy-2-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Pentanone, 1-hydroxy-2-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 3-Pentanone, 1-hydroxy-2-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.