CAS RN: 192566-65-7
9alpha,11,12-Trihydroxydrim-7-en-6-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.20250223 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS192566-65-7
- Purity/Analytical Methods: >99.0%
192566-65-7 / (4S,4aS,8aS)-4-hydroxy-3,4-bis(hydroxymethyl)-4a,8,8-trimethyl-5,6,7,8a-tetrahydronaphthalen-1-one
Basic Information
CAS
192566-65-7
Multi CAS
No
Molecular Formula
C15H24O4
Molecular Weight
268.350000
Exact Mass
268.167459
SMILES
C[C@]12CCCC([C@@H]1C(=O)C=C([C@@]2(CO)O)CO)(C)C
InChI
InChI=1S/C15H24O4/c1-13(2)5-4-6-14(3)12(13)11(18)7-10(8-16)15(14,19)9-17/h7,12,16-17,19H,4-6,8-9H2,1-3H3/t12-,14-,15+/m0/s1
InChIKey
XDCICCSDIUXWSU-AEGPPILISA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
3
Molar refractivity
71.44
TPSA
77.76
LogP / Solubility
WLOGP
1.04
MLOGP
0.93
XLogP3
0.9
Consensus LogP
0.96
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.51
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.51
Class (SILICOS-IT)
Moderately 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)
-3.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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