3,4-Didehydro-beta-ionol
TL;DR: 3,4-Didehydro-beta-ionol (CAS 116296-79-8) is a chemical compound with molecular formula C13H20O and molecular weight 192.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)but-3-en-2-ol
Also Known As: dehydro-.beta.-ionol, 3,4-didehydro-.beta.-ionol, 3,4-didehydro-beta-ionol, 3,4-Dydehydro .beta.-ionol, J1.586.225D
| Molecular Formula | C13H20O |
|---|---|
| Molecular Weight | 192.15 g/mol |
| LogP | 3.226 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 192.15141 |
| Heavy Atoms | 14 |
| Complexity | 290.35742 |
Chemical Identifiers
| CAS Number | 116296-79-8 |
|---|---|
| SMILES | CC1=C(C(CC=C1)(C)C)/C=C/C(C)O |
Product Overview
3,4-Didehydro-beta-ionol (CAS 116296-79-8), with molecular formula C13H20O and molecular weight 192.15 g/mol. IUPAC: (E)-4-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)but-3-en-2-ol.
Chemical Property Profile of 3,4-Didehydro-beta-ionol
Property Insights of 3,4-Didehydro-beta-ionol
The XLogP value of 3.226 indicates that 3,4-Didehydro-beta-ionol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.23 Ų, 3,4-Didehydro-beta-ionol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Didehydro-beta-ionol has 1 hydrogen bond donor(s) and 1 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 3,4-Didehydro-beta-ionol?
The CAS number of 3,4-Didehydro-beta-ionol is 116296-79-8.
What is the molecular formula of 3,4-Didehydro-beta-ionol?
The molecular formula of 3,4-Didehydro-beta-ionol is C13H20O.
What is the molecular weight of 3,4-Didehydro-beta-ionol?
The molecular weight of 3,4-Didehydro-beta-ionol is 192.15 g/mol.
Where can I buy 3,4-Didehydro-beta-ionol?
You can request a quote for 3,4-Didehydro-beta-ionol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Didehydro-beta-ionol?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Didehydro-beta-ionol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.