2,2,6-Trimethyl-6-(4-methylcyclohex-3-en-1-yl)oxan-3-one
TL;DR: 2,2,6-Trimethyl-6-(4-methylcyclohex-3-en-1-yl)oxan-3-one (CAS 22567-38-0) is a chemical compound with molecular formula C15H24O2 and molecular weight 236.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,6-trimethyl-6-(4-methylcyclohex-3-en-1-yl)oxan-3-one
Also Known As: Bisabolone oxide A, .alpha.-Bisabolone oxide, 2,2,6-trimethyl-6-(4-methylcyclohex-3-en-1-yl)oxan-3-one, (S-(R*,R*))-Dihydro-2,2,6-trimethyl-6-(4-methyl-3-cyclohexen-1-yl)-2H-pyran-3(4H)-one, 2,2,6-trimethyl-6-(4-methylcyclohex-3-en-1-yl)dihydro-2h-pyran-3(4h)-one
| Molecular Formula | C15H24O2 |
|---|---|
| Molecular Weight | 236.18 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 236.17763 |
| Heavy Atoms | 17 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 22567-38-0 |
|---|---|
| SMILES | CC1=CCC(CC1)C2(CCC(=O)C(O2)(C)C)C |
| InChIKey | MJWZYBQLHJQQJJ-UHFFFAOYSA-N |
Product Overview
2,2,6-Trimethyl-6-(4-methylcyclohex-3-en-1-yl)oxan-3-one (CAS 22567-38-0), with molecular formula C15H24O2 and molecular weight 236.18 g/mol. IUPAC: 2,2,6-trimethyl-6-(4-methylcyclohex-3-en-1-yl)oxan-3-one.
Chemical Property Profile of 2,2,6-Trimethyl-6-(4-methylcyclohex-3-en-1-yl)oxan-3-one
Property Insights of 2,2,6-Trimethyl-6-(4-methylcyclohex-3-en-1-yl)oxan-3-one
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2,6-Trimethyl-6-(4-methylcyclohex-3-en-1-yl)oxan-3-one. With a topological polar surface area (TPSA) of 26.3 Ų, 2,2,6-Trimethyl-6-(4-methylcyclohex-3-en-1-yl)oxan-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,6-Trimethyl-6-(4-methylcyclohex-3-en-1-yl)oxan-3-one has 0 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 2,2,6-Trimethyl-6-(4-methylcyclohex-3-en-1-yl)oxan-3-one?
The CAS number of 2,2,6-Trimethyl-6-(4-methylcyclohex-3-en-1-yl)oxan-3-one is 22567-38-0.
What is the molecular formula of 2,2,6-Trimethyl-6-(4-methylcyclohex-3-en-1-yl)oxan-3-one?
The molecular formula of 2,2,6-Trimethyl-6-(4-methylcyclohex-3-en-1-yl)oxan-3-one is C15H24O2.
What is the molecular weight of 2,2,6-Trimethyl-6-(4-methylcyclohex-3-en-1-yl)oxan-3-one?
The molecular weight of 2,2,6-Trimethyl-6-(4-methylcyclohex-3-en-1-yl)oxan-3-one is 236.18 g/mol.
Where can I buy 2,2,6-Trimethyl-6-(4-methylcyclohex-3-en-1-yl)oxan-3-one?
You can request a quote for 2,2,6-Trimethyl-6-(4-methylcyclohex-3-en-1-yl)oxan-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,6-Trimethyl-6-(4-methylcyclohex-3-en-1-yl)oxan-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2,2,6-Trimethyl-6-(4-methylcyclohex-3-en-1-yl)oxan-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.