4-Hexen-3-one, 5-hydroxy-2-methyl-
TL;DR: 4-Hexen-3-one, 5-hydroxy-2-methyl- (CAS 63289-89-4) is a chemical compound with molecular formula C7H12O2 and molecular weight 128.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-5-methylhex-3-en-2-one
Also Known As: 5-hydroxy-2-methylhex-4-en-3-one, 4-Hexen-3-one, 5-hydroxy-2-methyl-
| Molecular Formula | C7H12O2 |
|---|---|
| Molecular Weight | 128.08 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 128.08372 |
| Heavy Atoms | 9 |
| Complexity | 134.0 |
Chemical Identifiers
| CAS Number | 63289-89-4 |
|---|---|
| SMILES | CC(C)C(=CC(=O)C)O |
| InChIKey | UTTSDKCNJMWXSK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Hexen-3-one, 5-hydroxy-2-methyl- (CAS 63289-89-4), with molecular formula C7H12O2 and molecular weight 128.08 g/mol. IUPAC: 4-hydroxy-5-methylhex-3-en-2-one.
Chemical Property Profile of 4-Hexen-3-one, 5-hydroxy-2-methyl-
Property Insights of 4-Hexen-3-one, 5-hydroxy-2-methyl-
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hexen-3-one, 5-hydroxy-2-methyl-. With a topological polar surface area (TPSA) of 37.3 Ų, 4-Hexen-3-one, 5-hydroxy-2-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hexen-3-one, 5-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 4-Hexen-3-one, 5-hydroxy-2-methyl-?
The CAS number of 4-Hexen-3-one, 5-hydroxy-2-methyl- is 63289-89-4.
What is the molecular formula of 4-Hexen-3-one, 5-hydroxy-2-methyl-?
The molecular formula of 4-Hexen-3-one, 5-hydroxy-2-methyl- is C7H12O2.
What is the molecular weight of 4-Hexen-3-one, 5-hydroxy-2-methyl-?
The molecular weight of 4-Hexen-3-one, 5-hydroxy-2-methyl- is 128.08 g/mol.
Where can I buy 4-Hexen-3-one, 5-hydroxy-2-methyl-?
You can request a quote for 4-Hexen-3-one, 5-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 4-Hexen-3-one, 5-hydroxy-2-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 4-Hexen-3-one, 5-hydroxy-2-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.