[email protected]
CAS 2029185-29-1 4,4′-(2,2-bis(4-bromophenyl)ethene-1,1-diyl)diphenol molecular structure lightbox
CAS RN: 2029185-29-1

4,4′-(2,2-bis(4-bromophenyl)ethene-1,1-diyl)diphenol

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250828 100mg In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250514 1g In stock Shanghai, Wuhan Inquiry
Batchno.20250819 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250901 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS2029185-29-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

2029185-29-1 / 4-[2,2-bis(4-bromophenyl)-1-(4-hydroxyphenyl)ethenyl]phenol

Standard CAS: 2029185-29-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2029185-29-1
Multi CAS
No
Molecular Formula
C26H18Br2O2
Molecular Weight
522.200000
Exact Mass
521.965310
SMILES
C1=CC(=CC=C1C(=C(C2=CC=C(C=C2)Br)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)O)O
InChI
InChI=1S/C26H18Br2O2/c27-21-9-1-17(2-10-21)25(18-3-11-22(28)12-4-18)26(19-5-13-23(29)14-6-19)20-7-15-24(30)16-8-20/h1-16,29-30H
InChIKey
WJPXEBNQQXFFKV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
24
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
129.52
TPSA
40.46

LogP / Solubility

WLOGP
7.63
MLOGP
6.75
XLogP3
8.6
Consensus LogP
7.66
Log S (ESOL)
-8.21
Class (ESOL)
Insoluble
Log S (Ali)
-9.35
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.87
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.49

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

Customers Also Viewed

Get In Touch

Contact Us