CAS RN: 923950-05-4
3-Acetoxy-4-cadinen-8-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.20251224 | 1mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS923950-05-4
- Purity/Analytical Methods: >99.0%
923950-05-4 / [(2S,4aR,5S,8R,8aS)-3,8-dimethyl-6-oxo-5-propan-2-yl-2,4a,5,7,8,8a-hexahydro-1H-naphthalen-2-yl] acetate
Basic Information
CAS
923950-05-4
Multi CAS
Yes
Molecular Formula
C17H26O3
Molecular Weight
278.400000
Exact Mass
278.188195
InChI
InChI=1S/C17H26O3/c1-9(2)17-14-6-11(4)16(20-12(5)18)8-13(14)10(3)7-15(17)19/h6,9-10,13-14,16-17H,7-8H2,1-5H3/t10-,13+,14+,16+,17+/m1/s1
InChIKey
BJLBGEPDNAWIIP-NKJUWPKISA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Fraction Csp3
0.76
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
78.02
TPSA
43.37
LogP / Solubility
WLOGP
3.38
MLOGP
2.99
XLogP3
2.8
Consensus LogP
3.06
Log S (ESOL)
-3.56
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.28
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.52
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)
-2.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
4
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