![CAS 22567-38-0 [S-(R*,R*)]-dihydro-2,2,6-trimethyl-6-(4-methyl-3-cyclohexen-1-yl)-2H-pyran-3(4H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/22567-38-0.gif)
CAS RN: 22567-38-0
[S-(R*,R*)]-dihydro-2,2,6-trimethyl-6-(4-methyl-3-cyclohexen-1-yl)-2H-pyran-3(4H)-one
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250721 | 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS22567-38-0
- Purity/Analytical Methods: >99.0%
22567-38-0 / 2,2,6-trimethyl-6-(4-methylcyclohex-3-en-1-yl)oxan-3-one
Basic Information
CAS
22567-38-0
Multi CAS
No
Molecular Formula
C15H24O2
Molecular Weight
236.350000
Exact Mass
236.177630
SMILES
CC1=CCC(CC1)C2(CCC(=O)C(O2)(C)C)C
InChI
InChI=1S/C15H24O2/c1-11-5-7-12(8-6-11)15(4)10-9-13(16)14(2,3)17-15/h5,12H,6-10H2,1-4H3/t12-,15+/m1/s1
InChIKey
MJWZYBQLHJQQJJ-DOMZBBRYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
68.91
TPSA
26.3
LogP / Solubility
WLOGP
3.65
MLOGP
3.22
XLogP3
2.5
Consensus LogP
3.12
Log S (ESOL)
-3.54
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.35
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.57
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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