CAS RN: 26575-93-9
Alisol C 23-acetate
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250814 | 5mg / 10mg / 25mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS26575-93-9
- Purity/Analytical Methods: >99.0%
26575-93-9 / [1-(3,3-dimethyloxiran-2-yl)-3-(11-hydroxy-4,4,8,10,14-pentamethyl-3,16-dioxo-2,5,6,7,9,11,12,15-octahydro-1H-cyclopenta[a]phenanthren-17-yl)butyl] acetate
Basic Information
CAS
26575-93-9
Multi CAS
No
Molecular Formula
C32H48O6
Molecular Weight
528.700000
Exact Mass
528.345089
SMILES
CC(CC(C1C(O1)(C)C)OC(=O)C)C2=C3CC(C4C5(CCC(=O)C(C5CCC4(C3(CC2=O)C)C)(C)C)C)O
InChI
InChI=1S/C32H48O6/c1-17(14-22(37-18(2)33)27-29(5,6)38-27)25-19-15-20(34)26-30(7)12-11-24(36)28(3,4)23(30)10-13-31(26,8)32(19,9)16-21(25)35/h17,20,22-23,26-27,34H,10-16H2,1-9H3/t17-,20+,22+,23+,26+,27-,30+,31+,32+/m1/s1
InChIKey
KOOCQNIPRJEMDH-QSKXMHMESA-N
Computed Properties
Structural Parameters
Heavy atom count
38
Fraction Csp3
0.84
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
1
Molar refractivity
144.12
TPSA
93.2
LogP / Solubility
WLOGP
5.59
MLOGP
4.96
XLogP3
4.5
Consensus LogP
5.02
Log S (ESOL)
-6.31
Class (ESOL)
Insoluble
Log S (Ali)
-7.93
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.34
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.98
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
9.5
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