4-Hydroxy-1,2-dihydro-beta-jonone-1,2-epoxide
TL;DR: 4-Hydroxy-1,2-dihydro-beta-jonone-1,2-epoxide (CAS 38274-01-0) is a chemical compound with molecular formula C13H20O3 and molecular weight 224.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-(4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)but-3-en-2-one
Also Known As: 3-Hydroxy-5,6-epoxy-beta-ionone, 3-Hydroxy-5,6-epoxy-I(2)-ionone, 3-Hydroxy-5,6-epoxy-.beta.-ionone, 4-Hydroxy-1,2-dihydro-beta-jonone-1,2-epoxide, 3-Buten-2-one, 4-(4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl)-
| Molecular Formula | C13H20O3 |
|---|---|
| Molecular Weight | 224.14 g/mol |
| LogP | 1.8402 |
| Topological Polar Surface Area | 49.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 224.14125 |
| Heavy Atoms | 16 |
| Complexity | 358.1892 |
Chemical Identifiers
| CAS Number | 38274-01-0 |
|---|---|
| SMILES | CC(=O)/C=C/C12C(CC(CC1(O2)C)O)(C)C |
Product Overview
4-Hydroxy-1,2-dihydro-beta-jonone-1,2-epoxide (CAS 38274-01-0), with molecular formula C13H20O3 and molecular weight 224.14 g/mol. IUPAC: (E)-4-(4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)but-3-en-2-one.
Chemical Property Profile of 4-Hydroxy-1,2-dihydro-beta-jonone-1,2-epoxide
Property Insights of 4-Hydroxy-1,2-dihydro-beta-jonone-1,2-epoxide
The XLogP value of 1.8402 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxy-1,2-dihydro-beta-jonone-1,2-epoxide. With a topological polar surface area (TPSA) of 49.83 Ų, 4-Hydroxy-1,2-dihydro-beta-jonone-1,2-epoxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hydroxy-1,2-dihydro-beta-jonone-1,2-epoxide has 1 hydrogen bond donor(s) and 3 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 4-Hydroxy-1,2-dihydro-beta-jonone-1,2-epoxide?
The CAS number of 4-Hydroxy-1,2-dihydro-beta-jonone-1,2-epoxide is 38274-01-0.
What is the molecular formula of 4-Hydroxy-1,2-dihydro-beta-jonone-1,2-epoxide?
The molecular formula of 4-Hydroxy-1,2-dihydro-beta-jonone-1,2-epoxide is C13H20O3.
What is the molecular weight of 4-Hydroxy-1,2-dihydro-beta-jonone-1,2-epoxide?
The molecular weight of 4-Hydroxy-1,2-dihydro-beta-jonone-1,2-epoxide is 224.14 g/mol.
Where can I buy 4-Hydroxy-1,2-dihydro-beta-jonone-1,2-epoxide?
You can request a quote for 4-Hydroxy-1,2-dihydro-beta-jonone-1,2-epoxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxy-1,2-dihydro-beta-jonone-1,2-epoxide?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxy-1,2-dihydro-beta-jonone-1,2-epoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.