Isomethyl-beta-ionone, (Z)-
TL;DR: Isomethyl-beta-ionone, (Z)- (CAS 93175-71-4) 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.
(Z)-3-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one
Also Known As: delta-Iraldeine, .delta.-Iraldeine, beta-Isomethylionone, Methyl delta ionone, Methyl-delta-ionone
| 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 | 93175-71-4 |
|---|---|
| SMILES | CC1=C(C(CCC1)(C)C)/C=C(/C)\C(=O)C |
Product Overview
Isomethyl-beta-ionone, (Z)- (CAS 93175-71-4), with molecular formula C14H22O and molecular weight 206.17 g/mol. IUPAC: (Z)-3-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one.
Chemical Property Profile of Isomethyl-beta-ionone, (Z)-
Property Insights of Isomethyl-beta-ionone, (Z)-
The XLogP value of 4.0483 indicates that Isomethyl-beta-ionone, (Z)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, Isomethyl-beta-ionone, (Z)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isomethyl-beta-ionone, (Z)- 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 Isomethyl-beta-ionone, (Z)-?
The CAS number of Isomethyl-beta-ionone, (Z)- is 93175-71-4.
What is the molecular formula of Isomethyl-beta-ionone, (Z)-?
The molecular formula of Isomethyl-beta-ionone, (Z)- is C14H22O.
What is the molecular weight of Isomethyl-beta-ionone, (Z)-?
The molecular weight of Isomethyl-beta-ionone, (Z)- is 206.17 g/mol.
Where can I buy Isomethyl-beta-ionone, (Z)-?
You can request a quote for Isomethyl-beta-ionone, (Z)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isomethyl-beta-ionone, (Z)-?
Yes, KEHONG BIO provides custom synthesis services for Isomethyl-beta-ionone, (Z)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.