3-Hydroxy-7,8-didehydro-beta-ionone
TL;DR: 3-Hydroxy-7,8-didehydro-beta-ionone (CAS 88218-97-7) is a chemical compound with molecular formula C13H18O2 and molecular weight 206.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)but-3-yn-2-one
Also Known As: 3-hydroxy-7,8-didehydro-.beta.-ionone, 3-Hydroxy-7,8-didehydro-beta-ionone, 4-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)but-3-yn-2-one, 3-Butyn-2-one, 4-(4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-, 4-(4-HYDROXY-2,6,6-TRIMETHYLCYCLOHEX-1-EN-1-YL)BUT-3-YN-2-ONE
| Molecular Formula | C13H18O2 |
|---|---|
| Molecular Weight | 206.13 g/mol |
| LogP | 2.0762 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 206.13068 |
| Heavy Atoms | 15 |
| Complexity | 363.73254 |
Chemical Identifiers
| CAS Number | 88218-97-7 |
|---|---|
| SMILES | CC1=C(C(CC(C1)O)(C)C)C#CC(=O)C |
Product Overview
3-Hydroxy-7,8-didehydro-beta-ionone (CAS 88218-97-7), with molecular formula C13H18O2 and molecular weight 206.13 g/mol. IUPAC: 4-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)but-3-yn-2-one.
Chemical Property Profile of 3-Hydroxy-7,8-didehydro-beta-ionone
Property Insights of 3-Hydroxy-7,8-didehydro-beta-ionone
The XLogP value of 2.0762 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxy-7,8-didehydro-beta-ionone. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Hydroxy-7,8-didehydro-beta-ionone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxy-7,8-didehydro-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-7,8-didehydro-beta-ionone?
The CAS number of 3-Hydroxy-7,8-didehydro-beta-ionone is 88218-97-7.
What is the molecular formula of 3-Hydroxy-7,8-didehydro-beta-ionone?
The molecular formula of 3-Hydroxy-7,8-didehydro-beta-ionone is C13H18O2.
What is the molecular weight of 3-Hydroxy-7,8-didehydro-beta-ionone?
The molecular weight of 3-Hydroxy-7,8-didehydro-beta-ionone is 206.13 g/mol.
Where can I buy 3-Hydroxy-7,8-didehydro-beta-ionone?
You can request a quote for 3-Hydroxy-7,8-didehydro-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-7,8-didehydro-beta-ionone?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-7,8-didehydro-beta-ionone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.