CAS RN: 925705-36-8
3-Isomangostin hydrate formate
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.20251114 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS925705-36-8
- Purity/Analytical Methods: >99.0%
925705-36-8 / [4-(5,9-dihydroxy-8-methoxy-2,2-dimethyl-6-oxo-3,4-dihydrochromeno[7,6-b]chromen-7-yl)-2-methylbutan-2-yl] formate
Basic Information
CAS
925705-36-8
Multi CAS
Yes
Molecular Formula
C25H28O8
Molecular Weight
456.500000
Exact Mass
456.178418
InChI
InChI=1S/C25H28O8.H2O/c1-24(2,31-12-26)8-7-14-19-17(10-15(27)23(14)30-5)32-18-11-16-13(6-9-25(3,4)33-16)21(28)20(18)22(19)29;/h10-12,27-28H,6-9H2,1-5H3;1H2
InChIKey
KQUSCBSXBQXBQP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
14
Fraction Csp3
0.44
Rotatable bonds
6
H-bond acceptors
8
H-bond donors
2
Molar refractivity
122.45
TPSA
115.43
LogP / Solubility
WLOGP
4.35
MLOGP
3.86
XLogP3
4.9
Consensus LogP
4.37
Log S (ESOL)
-5.33
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.45
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.96
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.41
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
3
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