4-Hexen-2-one, 3,4-dimethyl-
TL;DR: 4-Hexen-2-one, 3,4-dimethyl- (CAS 53252-21-4) is a chemical compound with molecular formula C8H14O and molecular weight 126.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dimethylhex-4-en-2-one
Also Known As: 4-Hexen-2-one, 3,4-dimethyl-, 3,4-dimethylhex-4-en-2-one, 3,4-dimethyl-4-hexen-2-one, RefChem:293030
| Molecular Formula | C8H14O |
|---|---|
| Molecular Weight | 126.10 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 126.10446 |
| Heavy Atoms | 9 |
| Complexity | 134.0 |
Chemical Identifiers
| CAS Number | 53252-21-4 |
|---|---|
| SMILES | CC=C(C)C(C)C(=O)C |
| InChIKey | JREXONVOTZQSLT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Hexen-2-one, 3,4-dimethyl- (CAS 53252-21-4), with molecular formula C8H14O and molecular weight 126.10 g/mol. IUPAC: 3,4-dimethylhex-4-en-2-one.
Chemical Property Profile of 4-Hexen-2-one, 3,4-dimethyl-
Property Insights of 4-Hexen-2-one, 3,4-dimethyl-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hexen-2-one, 3,4-dimethyl-. With a topological polar surface area (TPSA) of 17.1 Ų, 4-Hexen-2-one, 3,4-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hexen-2-one, 3,4-dimethyl- 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-Hexen-2-one, 3,4-dimethyl-?
The CAS number of 4-Hexen-2-one, 3,4-dimethyl- is 53252-21-4.
What is the molecular formula of 4-Hexen-2-one, 3,4-dimethyl-?
The molecular formula of 4-Hexen-2-one, 3,4-dimethyl- is C8H14O.
What is the molecular weight of 4-Hexen-2-one, 3,4-dimethyl-?
The molecular weight of 4-Hexen-2-one, 3,4-dimethyl- is 126.10 g/mol.
Where can I buy 4-Hexen-2-one, 3,4-dimethyl-?
You can request a quote for 4-Hexen-2-one, 3,4-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hexen-2-one, 3,4-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 4-Hexen-2-one, 3,4-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.