CAS RN: 828935-47-3
“3-Oxo-24,25,26,27-tetrartirucall-7-en-23,21-olide”
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.20260212 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS828935-47-3
- Purity/Analytical Methods: >99.0%
828935-47-3 / 4-(4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)oxolan-2-one
Basic Information
CAS
828935-47-3
Multi CAS
Yes
Molecular Formula
C26H38O3
Molecular Weight
398.600000
Exact Mass
398.282095
InChI
InChI=1S/C26H38O3/c1-23(2)20-7-6-19-18(24(20,3)11-10-21(23)27)9-13-25(4)17(8-12-26(19,25)5)16-14-22(28)29-15-16/h6,16-18,20H,7-15H2,1-5H3/t16-,17+,18+,20+,24-,25+,26-/m1/s1
InChIKey
BWKLKUMHNBYPDA-APSMHXCZSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Fraction Csp3
0.85
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
113.05
TPSA
43.37
LogP / Solubility
WLOGP
5.72
MLOGP
5.06
XLogP3
5.5
Consensus LogP
5.43
Log S (ESOL)
-5.85
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.96
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.12
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7
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