CAS RN: 521-32-4
BILOBETIN
Product Availability
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5 package records2 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260416 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS521-32-4
- Purity/Analytical Methods: >99.0%
521-32-4 / 8-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-methoxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Basic Information
CAS
521-32-4
Multi CAS
No
Molecular Formula
C31H20O10
Molecular Weight
552.500000
Exact Mass
552.105647
InChI
InChI=1S/C31H20O10/c1-39-24-7-4-15(26-12-22(37)29-19(34)9-17(33)10-27(29)40-26)8-18(24)28-20(35)11-21(36)30-23(38)13-25(41-31(28)30)14-2-5-16(32)6-3-14/h2-13,32-36H,1H3
InChIKey
IWEIJEPIYMAGTH-UHFFFAOYSA-N
Physical Properties
Melting Point
320 °C
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
41
Aromatic heavy atom count
32
Fraction Csp3
0.03
Rotatable bonds
4
H-bond acceptors
10
H-bond donors
5
Molar refractivity
149.71
TPSA
170.8
LogP / Solubility
WLOGP
5.44
MLOGP
4.83
XLogP3
5.4
Consensus LogP
5.22
Log S (ESOL)
-7
Class (ESOL)
Insoluble
Log S (Ali)
-8.02
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.24
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.23
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5.5
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