CAS RN: 24512-59-2
16β-(Acetyloxy)-14,15β-epoxy-3β-hydroxy-19-oxo-5β-bufa-20,22-dienolide
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.20251113 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS24512-59-2
- Purity/Analytical Methods: >99.0%
24512-59-2 / [(1R,2S,4R,5R,6R,7R,10S,11R,14S,16R)-11-formyl-14-hydroxy-7-methyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-5-yl] acetate
Basic Information
CAS
24512-59-2
Multi CAS
No
Molecular Formula
C26H32O7
Molecular Weight
456.500000
Exact Mass
456.214803
SMILES
CC(=O)O[C@@H]1[C@@H]([C@]2(CC[C@H]3[C@H]([C@@]24[C@@H]1O4)CC[C@H]5[C@@]3(CC[C@@H](C5)O)C=O)C)C6=COC(=O)C=C6
InChI
InChI=1S/C26H32O7/c1-14(28)32-22-21(15-3-6-20(30)31-12-15)24(2)9-8-18-19(26(24)23(22)33-26)5-4-16-11-17(29)7-10-25(16,18)13-27/h3,6,12-13,16-19,21-23,29H,4-5,7-11H2,1-2H3/t16-,17+,18+,19-,21+,22-,23-,24-,25-,26-/m1/s1
InChIKey
FRUGXBQKMCOIBP-CDIOGTMDSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
6
Fraction Csp3
0.73
Rotatable bonds
3
H-bond acceptors
7
H-bond donors
1
Molar refractivity
116.28
TPSA
106.34
LogP / Solubility
WLOGP
2.98
MLOGP
2.65
XLogP3
2
Consensus LogP
2.54
Log S (ESOL)
-4.48
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.45
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.46
Class (SILICOS-IT)
Slightly soluble
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)
-3.39
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10
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