beta-ISOMETHYLIONONE
TL;DR: beta-ISOMETHYLIONONE (CAS 84057-83-0) is a chemical compound with molecular formula C14H22O and molecular weight 206.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one
Also Known As: delta-Iraldeine, beta-Isomethylionone, Methyl-delta-ionone, delta-METHYLIONONE, D-Methylionone
| Molecular Formula | C14H22O |
|---|---|
| Molecular Weight | 206.17 g/mol |
| LogP | 4.0483 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 206.16707 |
| Heavy Atoms | 15 |
| Complexity | 329.24786 |
Chemical Identifiers
| CAS Number | 84057-83-0 |
|---|---|
| SMILES | CC1=C(C(CCC1)(C)C)/C=C(\C)/C(=O)C |
Product Overview
beta-ISOMETHYLIONONE (CAS 84057-83-0), with molecular formula C14H22O and molecular weight 206.17 g/mol. IUPAC: (E)-3-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one.
Chemical Property Profile of beta-ISOMETHYLIONONE
Property Insights of beta-ISOMETHYLIONONE
The XLogP value of 4.0483 indicates that beta-ISOMETHYLIONONE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, beta-ISOMETHYLIONONE exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, beta-ISOMETHYLIONONE 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 beta-ISOMETHYLIONONE?
The CAS number of beta-ISOMETHYLIONONE is 84057-83-0.
What is the molecular formula of beta-ISOMETHYLIONONE?
The molecular formula of beta-ISOMETHYLIONONE is C14H22O.
What is the molecular weight of beta-ISOMETHYLIONONE?
The molecular weight of beta-ISOMETHYLIONONE is 206.17 g/mol.
Where can I buy beta-ISOMETHYLIONONE?
You can request a quote for beta-ISOMETHYLIONONE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-ISOMETHYLIONONE?
Yes, KEHONG BIO provides custom synthesis services for beta-ISOMETHYLIONONE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.