CAS RN: 87980-68-5
Ingenol-5,20-acetonide-3-O-angelate
Product Availability
Choose a grade to view its available package options.
5 package records0 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260219 | 1mg / 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS87980-68-5
- Purity/Analytical Methods: >99.0%
87980-68-5 / [(1S,4S,5S,6R,13S,14R,16R,18R)-5-hydroxy-3,8,8,15,15,18-hexamethyl-19-oxo-7,9-dioxapentacyclo[11.5.1.01,5.06,11.014,16]nonadeca-2,11-dien-4-yl] (Z)-2-methylbut-2-enoate
Basic Information
CAS
87980-68-5
Multi CAS
Yes
Molecular Formula
C28H38O6
Molecular Weight
470.600000
Exact Mass
470.266839
InChI
InChI=1S/C28H38O6/c1-9-14(2)24(30)33-22-15(3)12-27-16(4)10-19-20(25(19,5)6)18(21(27)29)11-17-13-32-26(7,8)34-23(17)28(22,27)31/h9,11-12,16,18-20,22-23,31H,10,13H2,1-8H3/b14-9-/t16-,18+,19-,20+,22+,23-,27+,28-/m1/s1
InChIKey
STFFIQHUWFISBB-YCAZZORDSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Fraction Csp3
0.71
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
1
Molar refractivity
126.48
TPSA
82.06
LogP / Solubility
WLOGP
4.13
MLOGP
3.67
XLogP3
3
Consensus LogP
3.6
Log S (ESOL)
-5.23
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.4
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.39
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)
-2.66
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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