CAS RN: 70389-88-7
Voleneol
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260419 | 5mg | Out of stock | Inquiry |
- Product code: starshine_CAS70389-88-7
- Purity/Analytical Methods: >99.0%
70389-88-7 / 4a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalene-1,5-diol
Basic Information
CAS
70389-88-7
Multi CAS
Yes
Molecular Formula
C15H26O2
Molecular Weight
238.370000
Exact Mass
238.193280
InChI
InChI=1S/C15H26O2/c1-9(2)11-7-8-15(4)12(16)6-5-10(3)13(15)14(11)17/h9,11-14,16-17H,3,5-8H2,1-2,4H3/t11-,12+,13+,14-,15-/m0/s1
InChIKey
WKKJGHCXVKEJNU-QRTUWBSPSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.87
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
69.55
TPSA
40.46
LogP / Solubility
WLOGP
2.75
MLOGP
2.42
XLogP3
2.6
Consensus LogP
2.59
Log S (ESOL)
-2.98
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.5
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.61
Class (SILICOS-IT)
Poorly 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)
-2.22
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
4
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