CAS RN: 50276-96-5
ochnaflavone
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250426 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS50276-96-5
- Purity/Analytical Methods: >99.0%
50276-96-5 / 2-[4-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenoxy]phenyl]-5,7-dihydroxychromen-4-one
Basic Information
CAS
50276-96-5
Multi CAS
No
Molecular Formula
C30H18O10
Molecular Weight
538.500000
Exact Mass
538.089997
InChI
InChI=1S/C30H18O10/c31-16-8-20(34)29-22(36)12-24(39-27(29)10-16)14-1-4-18(5-2-14)38-26-7-15(3-6-19(26)33)25-13-23(37)30-21(35)9-17(32)11-28(30)40-25/h1-13,31-35H
InChIKey
NNPGECDACGBKDH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
40
Aromatic heavy atom count
32
Rotatable bonds
4
H-bond acceptors
10
H-bond donors
5
Molar refractivity
144.24
TPSA
170.8
LogP / Solubility
WLOGP
5.55
MLOGP
4.93
XLogP3
5.3
Consensus LogP
5.26
Log S (ESOL)
-7.01
Class (ESOL)
Insoluble
Log S (Ali)
-7.99
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.25
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)
-2.06
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5.5
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