beta-Ionone epoxide
TL;DR: beta-Ionone epoxide (CAS 2940937-83-5) is a chemical compound with molecular formula C13H20O2 and molecular weight 208.15 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)but-3-en-2-one
Also Known As: beta-Ionone epoxide, Ionone Impurity 1, Ionone Impurity 7, 5,6-Epoxy-beta-ionone, Epoxy-.beta.-ionone
| Molecular Formula | C13H20O2 |
|---|---|
| Molecular Weight | 208.15 g/mol |
| LogP | 2.8694 |
| Topological Polar Surface Area | 29.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.14633 |
| Heavy Atoms | 15 |
| Complexity | 329.42764 |
Chemical Identifiers
| CAS Number | 2940937-83-5 |
|---|---|
| SMILES | CC(=O)/C=C/C12C(CCCC1(O2)C)(C)C |
Product Overview
beta-Ionone epoxide (CAS 2940937-83-5), with molecular formula C13H20O2 and molecular weight 208.15 g/mol. IUPAC: (E)-4-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)but-3-en-2-one.
Chemical Property Profile of beta-Ionone epoxide
Property Insights of beta-Ionone epoxide
The XLogP value of 2.8694 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-Ionone epoxide. With a topological polar surface area (TPSA) of 29.6 Ų, beta-Ionone epoxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, beta-Ionone epoxide 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 beta-Ionone epoxide?
The CAS number of beta-Ionone epoxide is 2940937-83-5.
What is the molecular formula of beta-Ionone epoxide?
The molecular formula of beta-Ionone epoxide is C13H20O2.
What is the molecular weight of beta-Ionone epoxide?
The molecular weight of beta-Ionone epoxide is 208.15 g/mol.
Where can I buy beta-Ionone epoxide?
You can request a quote for beta-Ionone epoxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Ionone epoxide?
Yes, KEHONG BIO provides custom synthesis services for beta-Ionone epoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.