CAS RN: 20489-11-6
Nardosinonediol
Product Availability
Choose a grade to view its available package options.
3 package records0 with current stock1 grade group
- Product code: starshine_CAS20489-11-6
- Purity/Analytical Methods: >99.0%
20489-11-6 / (3R,4aR,5R)-3-hydroxy-4-(2-hydroxypropan-2-yl)-4a,5-dimethyl-2,3,4,5,6,7-hexahydronaphthalen-1-one
Basic Information
CAS
20489-11-6
Multi CAS
No
Molecular Formula
C15H24O3
Molecular Weight
252.350000
Exact Mass
252.172545
SMILES
C[C@@H]1CCC=C2[C@]1(C([C@@H](CC2=O)O)C(C)(C)O)C
InChI
InChI=1S/C15H24O3/c1-9-6-5-7-10-11(16)8-12(17)13(14(2,3)18)15(9,10)4/h7,9,12-13,17-18H,5-6,8H2,1-4H3/t9-,12-,13?,15+/m1/s1
InChIKey
DBDGFZLAYDIKSV-ZGEJAQKFSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
70.01
TPSA
57.53
LogP / Solubility
WLOGP
2.07
MLOGP
1.83
XLogP3
2.4
Consensus LogP
2.1
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.12
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.14
Class (SILICOS-IT)
Poorly 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)
-2.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5
Customers Also Viewed
-
-
2-Azabicyclo[2.2.1]heptane-2-carboxylic acid, 3-oxo-, 1,1-dimethylethyl ester, (1S)-
- CAS RN: 204913-00-8
- Product Code: SSC-096413
-
1-[(3S,1R)-3-N-BOC-aminocyclopentyl]-1-ethanone
- CAS RN: 204913-01-9
- Product Code: SSC-096414
-
-
Imidazo[1,2-a]pyridin-5-amine monohydrochloride
- CAS RN: 204927-15-1
- Product Code: starshine_CAS204927-15-1
- Purity/Analytical method: >99.0%
-
2-Amino-4-chloro-6-methyl-7H-pyrrolo[2,3-d]pyrimidine
- CAS RN: 204929-06-6
- Product Code: starshine_CAS204929-06-6
- Purity/Analytical method: >99.0%
![CAS 204913-00-8 2-Azabicyclo[2.2.1]heptane-2-carboxylic acid, 3-oxo-, 1,1-dimethylethyl ester, (1S)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/204913-00-8.gif)
![CAS 204913-01-9 1-[(3S,1R)-3-N-BOC-aminocyclopentyl]-1-ethanone molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/204913-01-9.gif)
![CAS 204927-15-1 Imidazo[1,2-a]pyridin-5-amine monohydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/204927-15-1.gif)
![CAS 204929-06-6 2-Amino-4-chloro-6-methyl-7H-pyrrolo[2,3-d]pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/204929-06-6.gif)