2-Methylpenta-1,4-dien-3-one
TL;DR: 2-Methylpenta-1,4-dien-3-one (CAS 25461-87-4) is a chemical compound with molecular formula C6H8O and molecular weight 96.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpenta-1,4-dien-3-one
Also Known As: 2-methylpenta-1,4-dien-3-one, vinylisopropenyl ketone, isopropenyl vinyl ketone, 2-methyl-penta-1,4-dien-3-one
| Molecular Formula | C6H8O |
|---|---|
| Molecular Weight | 96.06 g/mol |
| LogP | 1.3176 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 96.05752 |
| Heavy Atoms | 7 |
| Complexity | 111.34843 |
Chemical Identifiers
| CAS Number | 25461-87-4 |
|---|---|
| SMILES | CC(=C)C(=O)C=C |
Product Overview
2-Methylpenta-1,4-dien-3-one (CAS 25461-87-4), with molecular formula C6H8O and molecular weight 96.06 g/mol. IUPAC: 2-methylpenta-1,4-dien-3-one.
Chemical Property Profile of 2-Methylpenta-1,4-dien-3-one
Property Insights of 2-Methylpenta-1,4-dien-3-one
The XLogP value of 1.3176 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methylpenta-1,4-dien-3-one. With a topological polar surface area (TPSA) of 17.07 Ų, 2-Methylpenta-1,4-dien-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylpenta-1,4-dien-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 2-Methylpenta-1,4-dien-3-one?
The CAS number of 2-Methylpenta-1,4-dien-3-one is 25461-87-4.
What is the molecular formula of 2-Methylpenta-1,4-dien-3-one?
The molecular formula of 2-Methylpenta-1,4-dien-3-one is C6H8O.
What is the molecular weight of 2-Methylpenta-1,4-dien-3-one?
The molecular weight of 2-Methylpenta-1,4-dien-3-one is 96.06 g/mol.
Where can I buy 2-Methylpenta-1,4-dien-3-one?
You can request a quote for 2-Methylpenta-1,4-dien-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylpenta-1,4-dien-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylpenta-1,4-dien-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.