CAS RN: 23720-80-1
nardosinone
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: starshine_CAS23720-80-1
- Purity/Analytical Methods: >99.0%
23720-80-1 / (3aR,9R,9aR,9bS)-1,1,9,9a-tetramethyl-3a,4,7,8,9,9b-hexahydronaphtho[2,1-c]dioxol-5-one
Basic Information
CAS
23720-80-1
Multi CAS
No
Molecular Formula
C15H22O3
Molecular Weight
250.330000
Exact Mass
250.156895
SMILES
C[C@@H]1CCC=C2[C@]1([C@H]3[C@@H](CC2=O)OOC3(C)C)C
InChI
InChI=1S/C15H22O3/c1-9-6-5-7-10-11(16)8-12-13(15(9,10)4)14(2,3)18-17-12/h7,9,12-13H,5-6,8H2,1-4H3/t9-,12-,13+,15+/m1/s1
InChIKey
KXGHHSIMRWPVQM-JWFUOXDNSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.8
H-bond acceptors
3
Molar refractivity
67.74
TPSA
35.53
LogP / Solubility
WLOGP
3.05
MLOGP
2.69
XLogP3
2.9
Consensus LogP
2.88
Log S (ESOL)
-3.31
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.81
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.82
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)
-2.08
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
Customers Also Viewed
-
Phrymarolin II
- CAS RN: 23720-86-7
- Product Code: starshine_CAS23720-86-7
- Purity/Analytical method: >99.0%
-
-
-
3-ISOPROPYLISOXAZOLO[5,4-B]PYRIDINE-5-CARBOXYLIC ACID
- CAS RN: 2372-49-8
- Product Code: SSC-115309
-
Chebulic Acid
- CAS RN: 23725-05-5
- Product Code: starshine_CAS23725-05-5
- Purity/Analytical method: >99.0%
-
DAMASCONE
- CAS RN: 23726-91-2
- Product Code: starshine_CAS23726-91-2
- Purity/Analytical method: >99.0%
![CAS 2372-49-8 3-ISOPROPYLISOXAZOLO[5,4-B]PYRIDINE-5-CARBOXYLIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB1771169.gif)
