CAS RN: 2193060-23-8
12-Hydroxyalbrassitriol
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.20250623 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2193060-23-8
- Purity/Analytical Methods: >99.0%
2193060-23-8 / (1S,4S,4aS,8aS)-3,4-bis(hydroxymethyl)-4a,8,8-trimethyl-5,6,7,8a-tetrahydro-1H-naphthalene-1,4-diol
Basic Information
CAS
2193060-23-8
Multi CAS
No
Molecular Formula
C15H26O4
Molecular Weight
270.360000
Exact Mass
270.183109
SMILES
C[C@]12CCCC([C@@H]1[C@H](C=C([C@@]2(CO)O)CO)O)(C)C
InChI
InChI=1S/C15H26O4/c1-13(2)5-4-6-14(3)12(13)11(18)7-10(8-16)15(14,19)9-17/h7,11-12,16-19H,4-6,8-9H2,1-3H3/t11-,12-,14-,15+/m0/s1
InChIKey
HUZKUSWQRONLOJ-NZBPQXDJSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.87
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
4
Molar refractivity
72.44
TPSA
80.92
LogP / Solubility
WLOGP
0.84
MLOGP
0.74
XLogP3
0.8
Consensus LogP
0.79
Log S (ESOL)
-1.91
Class (ESOL)
Soluble
Log S (Ali)
-2.38
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.35
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.78
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3.5
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