CAS RN: 19536-25-5
ECDYSONE-2-ACETATE, BETA-(SH)
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250828 | 5mg / 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS19536-25-5
- Purity/Analytical Methods: >99.0%
19536-25-5 / [(2S,3R,5R,9R,10R,13R,14S,17S)-3,14-dihydroxy-10,13-dimethyl-6-oxo-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-2-yl] acetate
Basic Information
CAS
19536-25-5
Multi CAS
No
Molecular Formula
C29H46O8
Molecular Weight
522.700000
Exact Mass
522.319268
SMILES
CC(=O)O[C@H]1C[C@@]2([C@H]3CC[C@@]4([C@H](CC[C@]4(C3=CC(=O)[C@@H]2C[C@H]1O)O)[C@](C)([C@@H](CCC(C)(C)O)O)O)C)C
InChI
InChI=1S/C29H46O8/c1-16(30)37-22-15-26(4)17-7-11-27(5)23(28(6,35)24(33)9-10-25(2,3)34)8-12-29(27,36)18(17)13-20(31)19(26)14-21(22)32/h13,17,19,21-24,32-36H,7-12,14-15H2,1-6H3/t17-,19-,21+,22-,23-,24+,26+,27+,28+,29+/m0/s1
InChIKey
TXLUXHSVMYTTCI-FORVDKSSSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Fraction Csp3
0.86
Rotatable bonds
6
H-bond acceptors
8
H-bond donors
5
Molar refractivity
136.15
TPSA
144.52
LogP / Solubility
WLOGP
2.42
MLOGP
2.17
XLogP3
1
Consensus LogP
1.86
Log S (ESOL)
-4.21
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.6
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.79
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.19
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
9.5
![CAS 19540-05-7 1-Azabicyclo[1.1.0]butane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/19540-05-7.gif)
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