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CAS 585570-08-7 N,N’-BIS(4-BROMOPHENYL)BENZIDINE molecular structure lightbox
CAS RN: 585570-08-7

N,N’-BIS(4-BROMOPHENYL)BENZIDINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251207 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS585570-08-7
  • Purity/Analytical Methods: >99.0%
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585570-08-7 / 4-[4-(4-bromoanilino)phenyl]-N-(4-bromophenyl)aniline

Standard CAS: 585570-08-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
585570-08-7
Multi CAS
Yes
Molecular Formula
C24H18BR2N2
Molecular Weight
494.200000
Exact Mass
493.981620
InChI
InChI=1S/C24H18Br2N2/c25-19-5-13-23(14-6-19)27-21-9-1-17(2-10-21)18-3-11-22(12-4-18)28-24-15-7-20(26)8-16-24/h1-16,27-28H
InChIKey
DXTBWEYORVJILO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
24
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
2
Molar refractivity
126.73
TPSA
24.06

LogP / Solubility

WLOGP
8.37
MLOGP
7.4
XLogP3
8.8
Consensus LogP
8.19
Log S (ESOL)
-8.48
Class (ESOL)
Insoluble
Log S (Ali)
-9.65
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.42
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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