CAS RN: 865474-98-2
Bisisorhapontigenin A
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.20251229 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS865474-98-2
- Purity/Analytical Methods: >99.0%
865474-98-2 / 5-[(2R,3R)-6-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol
Basic Information
CAS
865474-98-2
Multi CAS
Yes
Molecular Formula
C30H26O8
Molecular Weight
514.500000
Exact Mass
514.162768
InChI
InChI=1S/C31H28O8/c1-36-23-13-18(6-4-17-5-8-24(34)26(10-17)37-2)29-28(16-23)39-31(19-7-9-25(35)27(14-19)38-3)30(29)20-11-21(32)15-22(33)12-20/h4-16,30-35H,1-3H3/b6-4+/t30-,31+/m0/s1
InChIKey
YPINWBUQDZTXDV-XKLXBFOWSA-N
Computed Properties
Structural Parameters
Heavy atom count
38
Aromatic heavy atom count
24
Fraction Csp3
0.13
Rotatable bonds
6
H-bond acceptors
8
H-bond donors
5
Molar refractivity
141.34
TPSA
128.84
LogP / Solubility
WLOGP
5.67
MLOGP
5.03
XLogP3
5.3
Consensus LogP
5.33
Log S (ESOL)
-6.67
Class (ESOL)
Insoluble
Log S (Ali)
-7.87
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.43
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)
-1.83
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6
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