CAS RN: 83182-58-5
8α-Tigloyloxyhirsutinolide 13-O-acetate
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.20251111 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS83182-58-5
- Purity/Analytical Methods: >99.0%
83182-58-5 / [(1R,2E,8S,10R,11S)-6-(acetyloxymethyl)-11-hydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6-dien-8-yl] (E)-2-methylbut-2-enoate
Basic Information
CAS
83182-58-5
Multi CAS
Yes
Molecular Formula
C22H28O8
Molecular Weight
420.500000
Exact Mass
420.178418
InChI
InChI=1S/C22H28O8/c1-6-12(2)19(24)28-16-9-13(3)22(26)8-7-21(5,30-22)10-17-18(16)15(20(25)29-17)11-27-14(4)23/h6,10,13,16,26H,7-9,11H2,1-5H3/b12-6+,17-10+/t13-,16+,21-,22+/m1/s1
InChIKey
NPUVRWFJDAPMIA-BDPKFFACSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Fraction Csp3
0.59
Rotatable bonds
4
H-bond acceptors
8
H-bond donors
1
Molar refractivity
104.6
TPSA
108.36
LogP / Solubility
WLOGP
2.46
MLOGP
2.19
XLogP3
1.5
Consensus LogP
2.05
Log S (ESOL)
-3.73
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.79
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.92
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
No
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
8
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