CAS RN: 213329-46-5
18-r-4,15-dihydroxyabieta-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.20260513 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS213329-46-5
- Purity/Analytical Methods: >99.0%
213329-46-5 / (1R,4aS,10aR)-1-hydroxy-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
Basic Information
CAS
213329-46-5
Multi CAS
No
Molecular Formula
C19H26O3
Molecular Weight
302.400000
Exact Mass
302.188195
SMILES
C[C@]12CCC[C@@]([C@@H]1CC(=O)C3=C2C=CC(=C3)C(C)(C)O)(C)O
InChI
InChI=1S/C19H26O3/c1-17(2,21)12-6-7-14-13(10-12)15(20)11-16-18(14,3)8-5-9-19(16,4)22/h6-7,10,16,21-22H,5,8-9,11H2,1-4H3/t16-,18-,19-/m1/s1
InChIKey
SGCHZBKQDFNHSL-BHIYHBOVSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.63
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
85.95
TPSA
57.53
LogP / Solubility
WLOGP
3.31
MLOGP
2.92
XLogP3
2.6
Consensus LogP
2.94
Log S (ESOL)
-3.94
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.43
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.49
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4
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![CAS 213343-66-9 Rhodium(1+), [(1,2,5,6-η)-1,5-cyclooctadiene][(2R,2’R,5R,5’R)-1,1′-(1,2-ethanediyl)bis[2,5-diethylphospholane-κP]]-, tetrafluoroborate(1-) (1:1) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/213343-66-9.gif)
![CAS 213343-68-1 Rhodium(1+), [(1,2,5,6-η)-1,5-cyclooctadiene][(2S,2’S,5S,5’S)-1,1′-(1,2-ethanediyl)bis[2,5-bis(1-methylethyl)phospholane-κP]]-, tetrafluoroborate(1-) (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/213343-68-1.gif)