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CAS 34237-98-4 3,3′-dibromobenzidine molecular structure lightbox
CAS RN: 34237-98-4

3,3′-dibromobenzidine

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250323 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS34237-98-4
  • Purity/Analytical Methods: >99.0%
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34237-98-4 / 4-(4-amino-3-bromophenyl)-2-bromoaniline

Standard CAS: 34237-98-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
34237-98-4
Multi CAS
No
Molecular Formula
C12H10BR2N2
Molecular Weight
342.030000
Exact Mass
341.919020
InChI
InChI=1S/C12H10Br2N2/c13-9-5-7(1-3-11(9)15)8-2-4-12(16)10(14)6-8/h1-6H,15-16H2
InChIKey
QWUSZGIKGARVEC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
76.1
TPSA
52.04

LogP / Solubility

WLOGP
4.04
MLOGP
3.57
XLogP3
3.6
Consensus LogP
3.74
Log S (ESOL)
-5
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.28
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.36
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.94

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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