CAS RN: 20525-20-6
4′-BROMOFLAVONE
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.20260531 | 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS20525-20-6
- Purity/Analytical Methods: >99.0%
20525-20-6 / 2-(4-bromophenyl)chromen-4-one
Basic Information
CAS
20525-20-6
Multi CAS
No
Molecular Formula
C15H9BrO2
Molecular Weight
301.130000
Exact Mass
299.978590
SMILES
C1=CC=C2C(=C1)C(=O)C=C(O2)C3=CC=C(C=C3)Br
InChI
InChI=1S/C15H9BrO2/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15/h1-9H
InChIKey
URZUAHXELZUWFE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
16
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
75.62
TPSA
30.21
LogP / Solubility
WLOGP
4.22
MLOGP
3.73
XLogP3
4.2
Consensus LogP
4.05
Log S (ESOL)
-4.96
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.08
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.24
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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