CAS RN: 2193060-25-0
Ustusol H4
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.20250924 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2193060-25-0
- Purity/Analytical Methods: >99.0%
2193060-25-0 / (1R,4aS,8aS)-1-(hydroxymethyl)-5,5,8a-trimethyl-2-methylidene-4a,6,7,8-tetrahydronaphthalen-1-ol
Basic Information
CAS
2193060-25-0
Multi CAS
No
Molecular Formula
C15H24O2
Molecular Weight
236.350000
Exact Mass
236.177630
SMILES
C[C@]12CCCC([C@@H]1C=CC(=C)[C@@]2(CO)O)(C)C
InChI
InChI=1S/C15H24O2/c1-11-6-7-12-13(2,3)8-5-9-14(12,4)15(11,17)10-16/h6-7,12,16-17H,1,5,8-10H2,2-4H3/t12-,14-,15+/m0/s1
InChIKey
XNIDYKVHDSECQN-AEGPPILISA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.73
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
69.54
TPSA
40.46
LogP / Solubility
WLOGP
2.67
MLOGP
2.35
XLogP3
2.7
Consensus LogP
2.57
Log S (ESOL)
-2.92
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.42
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.53
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)
-2.27
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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