CAS RN: 873999-88-3
2,3-Dihydro-4′,5,5”,7-tetrahydroxy-4”’,7”-dimethoxy-3′,8”-biflavone
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250620 | 5mg | Out of stock | Inquiry |
- Product code: starshine_CAS873999-88-3
- Purity/Analytical Methods: >99.0%
873999-88-3 / 5,7-dihydroxy-8-[5-[(2S)-5-hydroxy-7-methoxy-4-oxo-2,3-dihydrochromen-2-yl]-2-methoxyphenyl]-2-(4-hydroxyphenyl)chromen-4-one
Basic Information
CAS
873999-88-3
Multi CAS
Yes
Molecular Formula
C32H24O10
Molecular Weight
568.500000
Exact Mass
568.136947
InChI
InChI=1S/C32H24O10/c1-39-18-10-20(34)30-23(37)13-27(41-28(30)11-18)16-5-8-25(40-2)19(9-16)29-21(35)12-22(36)31-24(38)14-26(42-32(29)31)15-3-6-17(33)7-4-15/h3-12,14,27,33-36H,13H2,1-2H3/t27-/m0/s1
InChIKey
FADCDEPVRJSRTJ-MHZLTWQESA-N
Computed Properties
Structural Parameters
Heavy atom count
42
Aromatic heavy atom count
28
Fraction Csp3
0.12
Rotatable bonds
5
H-bond acceptors
10
H-bond donors
4
Molar refractivity
151.88
TPSA
155.89
LogP / Solubility
WLOGP
5.67
MLOGP
5.04
XLogP3
5.4
Consensus LogP
5.37
Log S (ESOL)
-7.1
Class (ESOL)
Insoluble
Log S (Ali)
-8.32
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.66
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)
-2.16
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
6
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