3-Buten-2-one, 4-(trimethylcyclohexenyl)-
TL;DR: 3-Buten-2-one, 4-(trimethylcyclohexenyl)- (CAS 68425-63-8) 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.
4-(3,5,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one
Also Known As: Isocyclocitralidene acetone, 3-Buten-2-one, 4-(trimethylcyclohexenyl)-
| Molecular Formula | C13H20O |
|---|---|
| Molecular Weight | 192.15 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 192.15141 |
| Heavy Atoms | 14 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 68425-63-8 |
|---|---|
| SMILES | CC1CC(=CC(C1C)C=CC(=O)C)C |
| InChIKey | NDCFBENTLXANRX-UHFFFAOYSA-N |
Product Overview
3-Buten-2-one, 4-(trimethylcyclohexenyl)- (CAS 68425-63-8), with molecular formula C13H20O and molecular weight 192.15 g/mol. IUPAC: 4-(3,5,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one.
Chemical Property Profile of 3-Buten-2-one, 4-(trimethylcyclohexenyl)-
Property Insights of 3-Buten-2-one, 4-(trimethylcyclohexenyl)-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Buten-2-one, 4-(trimethylcyclohexenyl)-. With a topological polar surface area (TPSA) of 17.1 Ų, 3-Buten-2-one, 4-(trimethylcyclohexenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Buten-2-one, 4-(trimethylcyclohexenyl)- has 0 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-Buten-2-one, 4-(trimethylcyclohexenyl)-?
The CAS number of 3-Buten-2-one, 4-(trimethylcyclohexenyl)- is 68425-63-8.
What is the molecular formula of 3-Buten-2-one, 4-(trimethylcyclohexenyl)-?
The molecular formula of 3-Buten-2-one, 4-(trimethylcyclohexenyl)- is C13H20O.
What is the molecular weight of 3-Buten-2-one, 4-(trimethylcyclohexenyl)-?
The molecular weight of 3-Buten-2-one, 4-(trimethylcyclohexenyl)- is 192.15 g/mol.
Where can I buy 3-Buten-2-one, 4-(trimethylcyclohexenyl)-?
You can request a quote for 3-Buten-2-one, 4-(trimethylcyclohexenyl)- 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-(trimethylcyclohexenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 3-Buten-2-one, 4-(trimethylcyclohexenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.