CAS RN: 899789-51-6
Chrysocauloflavone I
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.20250207 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS899789-51-6
- Purity/Analytical Methods: >99.0%
899789-51-6 / 3-[4-(5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl)phenoxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Basic Information
CAS
899789-51-6
Multi CAS
No
Molecular Formula
C30H20O10
Molecular Weight
540.500000
Exact Mass
540.105647
InChI
InChI=1S/C30H20O10/c31-16-5-1-15(2-6-16)29-30(28(37)27-21(35)10-18(33)12-25(27)40-29)38-19-7-3-14(4-8-19)23-13-22(36)26-20(34)9-17(32)11-24(26)39-23/h1-12,23,31-35H,13H2
InChIKey
LYCITTYNRZICCB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
40
Aromatic heavy atom count
28
Fraction Csp3
0.07
Rotatable bonds
4
H-bond acceptors
10
H-bond donors
5
Molar refractivity
141.52
TPSA
166.89
LogP / Solubility
WLOGP
5.49
MLOGP
4.87
XLogP3
5.2
Consensus LogP
5.19
Log S (ESOL)
-6.9
Class (ESOL)
Insoluble
Log S (Ali)
-7.95
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.21
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)
-2.12
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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