CAS RN: 72959-46-7
6,7-Dihydroneridienone A
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.20250328 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS72959-46-7
- Purity/Analytical Methods: >99.0%
72959-46-7 / (8R,9S,10R,12R,13S,14S)-17-acetyl-12-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-one
Basic Information
CAS
72959-46-7
Multi CAS
Yes
Molecular Formula
C21H28O3
Molecular Weight
328.400000
Exact Mass
328.203845
InChI
InChI=1S/C21H28O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)18(15)11-19(24)21(16,17)3/h6,10,15,17-19,24H,4-5,7-9,11H2,1-3H3/t15-,17-,18-,19+,20-,21+/m0/s1
InChIKey
ZTDAXWJYRPVTPO-GGLFOPPFSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Fraction Csp3
0.71
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
92.25
TPSA
54.37
LogP / Solubility
WLOGP
3.61
MLOGP
3.2
XLogP3
2.5
Consensus LogP
3.1
Log S (ESOL)
-4.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.86
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.91
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)
-2.16
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6
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