(E)-4-(2',6',6'-Trimethyl-1',2'-epoxy-cyclohexyl)-3-penten-2-one (isomer 1)
TL;DR: (E)-4-(2',6',6'-Trimethyl-1',2'-epoxy-cyclohexyl)-3-penten-2-one (isomer 1) (CAS 89128-12-1) is a chemical compound with molecular formula C14H22O2 and molecular weight 222.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)pent-3-en-2-one
Also Known As: (E)-4-(2',6',6'-Trimethyl-1',2'-epoxy-cyclohexyl)-3-penten-2-one (isomer 1), (E)-4-(2',6',6'-Trimethyl-1',2'-epoxy-cyclohexyl)-3-penten-2-one (isomer 2), (E)-4-(1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl)pent-3-en-2-one
| Molecular Formula | C14H22O2 |
|---|---|
| Molecular Weight | 222.16 g/mol |
| LogP | 3.2595 |
| Topological Polar Surface Area | 29.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.16199 |
| Heavy Atoms | 16 |
| Complexity | 366.93164 |
Chemical Identifiers
| CAS Number | 89128-12-1 |
|---|---|
| SMILES | C/C(=C\C(=O)C)/C12C(CCCC1(O2)C)(C)C |
Product Overview
(E)-4-(2',6',6'-Trimethyl-1',2'-epoxy-cyclohexyl)-3-penten-2-one (isomer 1) (CAS 89128-12-1), with molecular formula C14H22O2 and molecular weight 222.16 g/mol. IUPAC: (E)-4-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)pent-3-en-2-one.
Chemical Property Profile of (E)-4-(2',6',6'-Trimethyl-1',2'-epoxy-cyclohexyl)-3-penten-2-one (isomer 1)
Property Insights of (E)-4-(2',6',6'-Trimethyl-1',2'-epoxy-cyclohexyl)-3-penten-2-one (isomer 1)
The XLogP value of 3.2595 indicates that (E)-4-(2',6',6'-Trimethyl-1',2'-epoxy-cyclohexyl)-3-penten-2-one (isomer 1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.6 Ų, (E)-4-(2',6',6'-Trimethyl-1',2'-epoxy-cyclohexyl)-3-penten-2-one (isomer 1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-4-(2',6',6'-Trimethyl-1',2'-epoxy-cyclohexyl)-3-penten-2-one (isomer 1) has 0 hydrogen bond donor(s) and 2 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 (E)-4-(2',6',6'-Trimethyl-1',2'-epoxy-cyclohexyl)-3-penten-2-one (isomer 1)?
The CAS number of (E)-4-(2',6',6'-Trimethyl-1',2'-epoxy-cyclohexyl)-3-penten-2-one (isomer 1) is 89128-12-1.
What is the molecular formula of (E)-4-(2',6',6'-Trimethyl-1',2'-epoxy-cyclohexyl)-3-penten-2-one (isomer 1)?
The molecular formula of (E)-4-(2',6',6'-Trimethyl-1',2'-epoxy-cyclohexyl)-3-penten-2-one (isomer 1) is C14H22O2.
What is the molecular weight of (E)-4-(2',6',6'-Trimethyl-1',2'-epoxy-cyclohexyl)-3-penten-2-one (isomer 1)?
The molecular weight of (E)-4-(2',6',6'-Trimethyl-1',2'-epoxy-cyclohexyl)-3-penten-2-one (isomer 1) is 222.16 g/mol.
Where can I buy (E)-4-(2',6',6'-Trimethyl-1',2'-epoxy-cyclohexyl)-3-penten-2-one (isomer 1)?
You can request a quote for (E)-4-(2',6',6'-Trimethyl-1',2'-epoxy-cyclohexyl)-3-penten-2-one (isomer 1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-4-(2',6',6'-Trimethyl-1',2'-epoxy-cyclohexyl)-3-penten-2-one (isomer 1)?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-(2',6',6'-Trimethyl-1',2'-epoxy-cyclohexyl)-3-penten-2-one (isomer 1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.