4-(5-Hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one
TL;DR: 4-(5-Hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one (CAS 69050-59-5) 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.
4-(5-hydroxy-2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one
Also Known As: 2-Hydroxy-5,7-megastigmadien-9-one, ent-3beta-Hydroxykaur-16-en-19-oic acid, 4-(5-Hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one, 3-Buten-2-one, 4-(5-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-, (E)-
| Molecular Formula | C13H20O2 |
|---|---|
| Molecular Weight | 208.15 g/mol |
| LogP | 1.6 |
| 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 | 321.0 |
Chemical Identifiers
| CAS Number | 69050-59-5 |
|---|---|
| SMILES | CC1=C(C(C(CC1)O)(C)C)C=CC(=O)C |
| InChIKey | LXYKLYXWNYMBKQ-UHFFFAOYSA-N |
Product Overview
4-(5-Hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one (CAS 69050-59-5), with molecular formula C13H20O2 and molecular weight 208.15 g/mol. IUPAC: 4-(5-hydroxy-2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one.
Chemical Property Profile of 4-(5-Hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one
Property Insights of 4-(5-Hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(5-Hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one. With a topological polar surface area (TPSA) of 37.3 Ų, 4-(5-Hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(5-Hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one 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 4-(5-Hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one?
The CAS number of 4-(5-Hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one is 69050-59-5.
What is the molecular formula of 4-(5-Hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one?
The molecular formula of 4-(5-Hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one is C13H20O2.
What is the molecular weight of 4-(5-Hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one?
The molecular weight of 4-(5-Hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one is 208.15 g/mol.
Where can I buy 4-(5-Hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one?
You can request a quote for 4-(5-Hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(5-Hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(5-Hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.