CAS RN: 57906-31-7
19-r-4-hydroxyabieta-8,11,13-trien-7-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.20250627 | 1mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS57906-31-7
- Purity/Analytical Methods: >99.0%
57906-31-7 / 1-hydroxy-1,4a-dimethyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
Basic Information
CAS
57906-31-7
Multi CAS
Yes
Molecular Formula
C19H26O2
Molecular Weight
286.400000
Exact Mass
286.193280
InChI
InChI=1S/C19H26O2/c1-12(2)13-6-7-15-14(10-13)16(20)11-17-18(15,3)8-5-9-19(17,4)21/h6-7,10,12,17,21H,5,8-9,11H2,1-4H3/t17-,18-,19+/m1/s1
InChIKey
PTQFIYQNKVSVGM-QRVBRYPASA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.63
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
84.8
TPSA
37.3
LogP / Solubility
WLOGP
4.21
MLOGP
3.71
XLogP3
4
Consensus LogP
3.97
Log S (ESOL)
-4.41
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.94
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.13
Class (SILICOS-IT)
Slightly 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)
-1.48
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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