CAS RN: 178456-58-1
6-Epialbrassitriol
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.20260117 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS178456-58-1
- Purity/Analytical Methods: >99.0%
178456-58-1 / (1R,4R,4aS,8aS)-4-(hydroxymethyl)-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydro-1H-naphthalene-1,4-diol
Basic Information
CAS
178456-58-1
Multi CAS
No
Molecular Formula
C15H26O3
Molecular Weight
254.360000
Exact Mass
254.188195
SMILES
CC1=C[C@H]([C@@H]2[C@@]([C@]1(CO)O)(CCCC2(C)C)C)O
InChI
InChI=1S/C15H26O3/c1-10-8-11(17)12-13(2,3)6-5-7-14(12,4)15(10,18)9-16/h8,11-12,16-18H,5-7,9H2,1-4H3/t11-,12+,14+,15-/m1/s1
InChIKey
RWPFZPBMMIWKKY-PAPYEOQZSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.87
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
3
Molar refractivity
71.03
TPSA
60.69
LogP / Solubility
WLOGP
1.86
MLOGP
1.65
XLogP3
1.5
Consensus LogP
1.67
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.99
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.98
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)
-2.95
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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