3-Buten-2-one, 4-(4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-, (3E)-
TL;DR: 3-Buten-2-one, 4-(4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-, (3E)- (CAS 116296-75-4) 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-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one
Also Known As: 3-Buten-2-one, 4-(4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-, (3E)-, 1-(3-Chlor-4-hydroxy-5-methoxy-phenyl)-aethanon, 4-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one, 4-(4-hydroxy-2,6,6-trimethylcyclohex-1-enyl)but-3-en-2-one, 4-(4-HYDROXY-2,6,6-TRIMETHYLCYCLOHEX-1-EN-1-YL)BUT-3-EN-2-ONE
| 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 | 116296-75-4 |
|---|---|
| SMILES | CC1=C(C(CC(C1)O)(C)C)C=CC(=O)C |
| InChIKey | HFRZSVYKDDZRQY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Buten-2-one, 4-(4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-, (3E)- (CAS 116296-75-4), with molecular formula C13H20O2 and molecular weight 208.15 g/mol. IUPAC: 4-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one.
Chemical Property Profile of 3-Buten-2-one, 4-(4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-, (3E)-
Property Insights of 3-Buten-2-one, 4-(4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-, (3E)-
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Buten-2-one, 4-(4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-, (3E)-. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Buten-2-one, 4-(4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-, (3E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Buten-2-one, 4-(4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-, (3E)- 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-Buten-2-one, 4-(4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-, (3E)-?
The CAS number of 3-Buten-2-one, 4-(4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-, (3E)- is 116296-75-4.
What is the molecular formula of 3-Buten-2-one, 4-(4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-, (3E)-?
The molecular formula of 3-Buten-2-one, 4-(4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-, (3E)- is C13H20O2.
What is the molecular weight of 3-Buten-2-one, 4-(4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-, (3E)-?
The molecular weight of 3-Buten-2-one, 4-(4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-, (3E)- is 208.15 g/mol.
Where can I buy 3-Buten-2-one, 4-(4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-, (3E)-?
You can request a quote for 3-Buten-2-one, 4-(4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-, (3E)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Buten-2-one, 4-(4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-, (3E)-?
Yes, KEHONG BIO provides custom synthesis services for 3-Buten-2-one, 4-(4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-, (3E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.