4-Methylhex-4-en-3-one
TL;DR: 4-Methylhex-4-en-3-one (CAS 62332-64-3) is a chemical compound with molecular formula C7H12O and molecular weight 112.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylhex-4-en-3-one
Also Known As: 4-methylhex-4-en-3-one, 4-Hexen-3-one, 4-methyl-, (E)-
| Molecular Formula | C7H12O |
|---|---|
| Molecular Weight | 112.09 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 112.08881 |
| Heavy Atoms | 8 |
| Complexity | 112.0 |
Chemical Identifiers
| CAS Number | 62332-64-3 |
|---|---|
| SMILES | CCC(=O)C(=CC)C |
| InChIKey | LJQNVNNQRWKTJP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methylhex-4-en-3-one (CAS 62332-64-3), with molecular formula C7H12O and molecular weight 112.09 g/mol. IUPAC: 4-methylhex-4-en-3-one.
Chemical Property Profile of 4-Methylhex-4-en-3-one
Property Insights of 4-Methylhex-4-en-3-one
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methylhex-4-en-3-one. With a topological polar surface area (TPSA) of 17.1 Ų, 4-Methylhex-4-en-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylhex-4-en-3-one has 0 hydrogen bond donor(s) and 1 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-Methylhex-4-en-3-one?
The CAS number of 4-Methylhex-4-en-3-one is 62332-64-3.
What is the molecular formula of 4-Methylhex-4-en-3-one?
The molecular formula of 4-Methylhex-4-en-3-one is C7H12O.
What is the molecular weight of 4-Methylhex-4-en-3-one?
The molecular weight of 4-Methylhex-4-en-3-one is 112.09 g/mol.
Where can I buy 4-Methylhex-4-en-3-one?
You can request a quote for 4-Methylhex-4-en-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylhex-4-en-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylhex-4-en-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.