(Z)-4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-one
TL;DR: (Z)-4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-one (CAS 52340-45-1) is a chemical compound with molecular formula C13H20O and molecular weight 192.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one
Also Known As: cis-Alpha-ionone, Iraldeine, (Z)-ALPHA-IONONE, Retinol impurity 12, EINECS 257-862-8
| Molecular Formula | C13H20O |
|---|---|
| Molecular Weight | 192.15 g/mol |
| LogP | 3.5141 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 192.15141 |
| Heavy Atoms | 14 |
| Complexity | 281.6107 |
Chemical Identifiers
| CAS Number | 52340-45-1 |
|---|---|
| SMILES | CC1=CCCC(C1/C=C\C(=O)C)(C)C |
Product Overview
(Z)-4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-one (CAS 52340-45-1), with molecular formula C13H20O and molecular weight 192.15 g/mol. IUPAC: (Z)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one.
Chemical Property Profile of (Z)-4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-one
Property Insights of (Z)-4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-one
The XLogP value of 3.5141 indicates that (Z)-4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-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, (Z)-4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-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 (Z)-4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-one?
The CAS number of (Z)-4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-one is 52340-45-1.
What is the molecular formula of (Z)-4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-one?
The molecular formula of (Z)-4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-one is C13H20O.
What is the molecular weight of (Z)-4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-one?
The molecular weight of (Z)-4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-one is 192.15 g/mol.
Where can I buy (Z)-4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-one?
You can request a quote for (Z)-4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-one?
Yes, KEHONG BIO provides custom synthesis services for (Z)-4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.