CAS RN: 425680-98-4
8-Hydroxy-5-O-beta-D-glucopyranosylpsoralen
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.20260619 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS425680-98-4
- Purity/Analytical Methods: >99.0%
425680-98-4 / 9-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyfuro[3,2-g]chromen-7-one
Basic Information
CAS
425680-98-4
Multi CAS
Yes
Molecular Formula
C17H16O10
Molecular Weight
380.300000
Exact Mass
380.074347
InChI
InChI=1S/C17H16O10/c18-5-8-10(20)11(21)12(22)17(25-8)27-14-6-1-2-9(19)26-16(6)13(23)15-7(14)3-4-24-15/h1-4,8,10-12,17-18,20-23H,5H2/t8-,10-,11+,12-,17+/m1/s1
InChIKey
SZLNHCJQIHSOJX-BZSFSHPFSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
13
Fraction Csp3
0.35
Rotatable bonds
3
H-bond acceptors
10
H-bond donors
5
Molar refractivity
88.32
TPSA
162.96
LogP / Solubility
WLOGP
-0.58
MLOGP
-0.49
XLogP3
-0.2
Consensus LogP
-0.42
Log S (ESOL)
-1.99
Class (ESOL)
Soluble
Log S (Ali)
-2.26
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.01
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
Low
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)
-5.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5
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