3-Hydroxy-beta-ionone
TL;DR: 3-Hydroxy-beta-ionone (CAS 76739-82-7) 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-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one
Also Known As: 3-hydroxy-beta-ionone, VcCCD1, 4-Hydroxy-.beta.-ionone, (3R)-3-Hydroxy-beta-ionone, (3S)-3-Hydroxy-beta-ionone
| Molecular Formula | C13H20O2 |
|---|---|
| Molecular Weight | 208.15 g/mol |
| LogP | 2.629 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.14633 |
| Heavy Atoms | 15 |
| Complexity | 321.42764 |
Chemical Identifiers
| CAS Number | 76739-82-7 |
|---|---|
| SMILES | CC1=C(C(CC(C1)O)(C)C)/C=C/C(=O)C |
Product Overview
3-Hydroxy-beta-ionone (CAS 76739-82-7), with molecular formula C13H20O2 and molecular weight 208.15 g/mol. IUPAC: (E)-4-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one.
Chemical Property Profile of 3-Hydroxy-beta-ionone
Property Insights of 3-Hydroxy-beta-ionone
The XLogP value of 2.629 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxy-beta-ionone. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Hydroxy-beta-ionone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxy-beta-ionone has 1 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 3-Hydroxy-beta-ionone?
The CAS number of 3-Hydroxy-beta-ionone is 76739-82-7.
What is the molecular formula of 3-Hydroxy-beta-ionone?
The molecular formula of 3-Hydroxy-beta-ionone is C13H20O2.
What is the molecular weight of 3-Hydroxy-beta-ionone?
The molecular weight of 3-Hydroxy-beta-ionone is 208.15 g/mol.
Where can I buy 3-Hydroxy-beta-ionone?
You can request a quote for 3-Hydroxy-beta-ionone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxy-beta-ionone?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-beta-ionone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.