CAS RN: 852875-96-8
2,3-Dihydropodocarpusflavone A
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260303 | 5mg | Out of stock | Inquiry |
- Product code: starshine_CAS852875-96-8
- Purity/Analytical Methods: >99.0%
852875-96-8 / 8-[5-(5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl)-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one
Basic Information
CAS
852875-96-8
Multi CAS
Yes
Molecular Formula
C31H22O10
Molecular Weight
554.500000
Exact Mass
554.121297
InChI
InChI=1S/C31H22O10/c1-39-17-5-2-14(3-6-17)25-13-24(38)30-22(36)11-21(35)28(31(30)41-25)18-8-15(4-7-19(18)33)26-12-23(37)29-20(34)9-16(32)10-27(29)40-26/h2-11,13,26,32-36H,12H2,1H3
InChIKey
LNCNPVIQJBSDBZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
41
Aromatic heavy atom count
28
Fraction Csp3
0.1
Rotatable bonds
4
H-bond acceptors
10
H-bond donors
5
Molar refractivity
146.99
TPSA
166.89
LogP / Solubility
WLOGP
5.37
MLOGP
4.77
XLogP3
5.1
Consensus LogP
5.08
Log S (ESOL)
-6.9
Class (ESOL)
Insoluble
Log S (Ali)
-7.98
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.2
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)
-2.29
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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