CAS RN: 332381-09-6
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.20260302 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS332381-09-6
- Purity/Analytical Methods: >99.0%
332381-09-6 / 5-[(2S,3S)-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
332381-09-6
Multi CAS
Yes
Molecular Formula
C30H26O8
Molecular Weight
514.500000
Exact Mass
514.162768
InChI
InChI=1S/C30H26O8/c1-36-25-9-16(4-7-23(25)34)3-5-17-10-22(33)15-27-28(17)29(19-11-20(31)14-21(32)12-19)30(38-27)18-6-8-24(35)26(13-18)37-2/h3-15,29-35H,1-2H3/b5-3+/t29-,30+/m0/s1
InChIKey
KQCRUBALDHAYMJ-FHJBEINISA-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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