CAS RN: 82425-35-2
20-O-Acetylingenol-3-angelate
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250314 | 5mg / 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS82425-35-2
- Purity/Analytical Methods: >99.0%
82425-35-2 / [(1S,4S,5S,6R,9S,10R,12R,14R)-7-(acetyloxymethyl)-5,6-dihydroxy-3,11,11,14-tetramethyl-15-oxo-4-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl] (Z)-2-methylbut-2-enoate
Basic Information
CAS
82425-35-2
Multi CAS
Yes
Molecular Formula
C27H36O7
Molecular Weight
472.600000
Exact Mass
472.246103
InChI
InChI=1S/C27H36O7/c1-8-13(2)24(31)34-23-14(3)11-26-15(4)9-19-20(25(19,6)7)18(22(26)30)10-17(12-33-16(5)28)21(29)27(23,26)32/h8,10-11,15,18-21,23,29,32H,9,12H2,1-7H3/b13-8-/t15-,18+,19-,20+,21-,23+,26+,27+/m1/s1
InChIKey
ZYCAGKYWXRKLSN-KLKWOBOISA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Fraction Csp3
0.67
Rotatable bonds
4
H-bond acceptors
7
H-bond donors
2
Molar refractivity
124.21
TPSA
110.13
LogP / Solubility
WLOGP
2.9
MLOGP
2.59
XLogP3
2
Consensus LogP
2.5
Log S (ESOL)
-4.33
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.53
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.62
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)
-3.54
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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