CAS RN: 890928-81-1
24,25-Epoxytirucall-7-en-3,23-dione
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.20260204 | 1mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS890928-81-1
- Purity/Analytical Methods: >99.0%
890928-81-1 / (5R,9R,10R,13S,14S,17S)-17-[(2S)-4-[(2R)-3,3-dimethyloxiran-2-yl]-4-oxobutan-2-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
Basic Information
CAS
890928-81-1
Multi CAS
Yes
Molecular Formula
C30H46O3
Molecular Weight
454.700000
Exact Mass
454.344695
InChI
InChI=1S/C30H46O3/c1-18(17-22(31)25-27(4,5)33-25)19-11-15-30(8)21-9-10-23-26(2,3)24(32)13-14-28(23,6)20(21)12-16-29(19,30)7/h9,18-20,23,25H,10-17H2,1-8H3/t18-,19-,20-,23-,25-,28+,29-,30+/m0/s1
InChIKey
LLEVBDQGRCWBIO-QUWLECNASA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Fraction Csp3
0.87
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
131.72
TPSA
46.67
LogP / Solubility
WLOGP
6.93
MLOGP
6.13
XLogP3
6.4
Consensus LogP
6.49
Log S (ESOL)
-6.76
Class (ESOL)
Insoluble
Log S (Ali)
-8.29
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.85
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)
-0.57
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7.5
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