![CAS 936803-69-9 Phenol, 4,4′-[2-(4-bromophenyl)-2-phenylethenylidene]bis- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/936803-69-9.gif)
CAS RN: 936803-69-9
Phenol, 4,4′-[2-(4-bromophenyl)-2-phenylethenylidene]bis-
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250723 | 100mg | In stock | Shanghai, Wuhan, Chengdu | Inquiry |
| Batchno.20250123 | 1g | In stock | Shanghai, Tianjin, Chengdu | Inquiry |
| Batchno.20260620 | 250mg | In stock | Shanghai, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250120 | 5g | In stock | Shanghai, Shenzhen, Tianjin, Chengdu | Inquiry |
- Product code: starshine_CAS936803-69-9
- Purity/Analytical Methods: >99.0%
936803-69-9 / 4-[2-(4-bromophenyl)-1-(4-hydroxyphenyl)-2-phenylethenyl]phenol
Basic Information
CAS
936803-69-9
Multi CAS
No
Molecular Formula
C26H19BRO2
Molecular Weight
443.300000
Exact Mass
442.056840
InChI
InChI=1S/C26H19BrO2/c27-22-12-6-19(7-13-22)25(18-4-2-1-3-5-18)26(20-8-14-23(28)15-9-20)21-10-16-24(29)17-11-21/h1-17,28-29H
InChIKey
FZKSOPKPNLVTRF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
24
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
121.82
TPSA
40.46
LogP / Solubility
WLOGP
6.87
MLOGP
6.07
XLogP3
7.9
Consensus LogP
6.95
Log S (ESOL)
-7.26
Class (ESOL)
Insoluble
Log S (Ali)
-8.15
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.72
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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![CAS 936829-00-4 2-[(TERT-BUTOXY)CARBONYL]-1,2,3,4-TETRAHYDROISOQUINOLINE-4-CARBOXYLIC ACID(WX142476) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/936829-00-4.gif)
