2-Methyl-3-(propan-2-yl)hepta-2,5-dien-4-one
TL;DR: 2-Methyl-3-(propan-2-yl)hepta-2,5-dien-4-one (CAS 74402-67-8) is a chemical compound with molecular formula C11H18O and molecular weight 166.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-3-propan-2-ylhepta-2,5-dien-4-one
Also Known As: 2-Methyl-3-(propan-2-yl)hepta-2,5-dien-4-one, 2,5-Heptadien-4-one,2-methyl-3-(1-methylethyl)-
| Molecular Formula | C11H18O |
|---|---|
| Molecular Weight | 166.14 g/mol |
| LogP | 3.124 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 166.13577 |
| Heavy Atoms | 12 |
| Complexity | 215.15862 |
Chemical Identifiers
| CAS Number | 74402-67-8 |
|---|---|
| SMILES | CC=CC(=O)C(=C(C)C)C(C)C |
Product Overview
2-Methyl-3-(propan-2-yl)hepta-2,5-dien-4-one (CAS 74402-67-8), with molecular formula C11H18O and molecular weight 166.14 g/mol. IUPAC: 2-methyl-3-propan-2-ylhepta-2,5-dien-4-one.
Chemical Property Profile of 2-Methyl-3-(propan-2-yl)hepta-2,5-dien-4-one
Property Insights of 2-Methyl-3-(propan-2-yl)hepta-2,5-dien-4-one
The XLogP value of 3.124 indicates that 2-Methyl-3-(propan-2-yl)hepta-2,5-dien-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 2-Methyl-3-(propan-2-yl)hepta-2,5-dien-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-3-(propan-2-yl)hepta-2,5-dien-4-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-Methyl-3-(propan-2-yl)hepta-2,5-dien-4-one?
The CAS number of 2-Methyl-3-(propan-2-yl)hepta-2,5-dien-4-one is 74402-67-8.
What is the molecular formula of 2-Methyl-3-(propan-2-yl)hepta-2,5-dien-4-one?
The molecular formula of 2-Methyl-3-(propan-2-yl)hepta-2,5-dien-4-one is C11H18O.
What is the molecular weight of 2-Methyl-3-(propan-2-yl)hepta-2,5-dien-4-one?
The molecular weight of 2-Methyl-3-(propan-2-yl)hepta-2,5-dien-4-one is 166.14 g/mol.
Where can I buy 2-Methyl-3-(propan-2-yl)hepta-2,5-dien-4-one?
You can request a quote for 2-Methyl-3-(propan-2-yl)hepta-2,5-dien-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-3-(propan-2-yl)hepta-2,5-dien-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-3-(propan-2-yl)hepta-2,5-dien-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.