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CAS 62477-23-0 4,4′-DiaMino-3,3′,5,5′-tetrabroMobiphenyl molecular structure lightbox
CAS RN: 62477-23-0

4,4′-DiaMino-3,3′,5,5′-tetrabroMobiphenyl

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260102 100mg In stock Shanghai Inquiry
Batchno.20251129 10g In stock Shanghai Inquiry
Batchno.20250819 1g In stock Shanghai Inquiry
Batchno.20250204 250mg In stock Shanghai Inquiry
Batchno.20250607 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS62477-23-0
  • Purity/Analytical Methods: >99.0%
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62477-23-0 / 4-(4-amino-3,5-dibromophenyl)-2,6-dibromoaniline

Standard CAS: 62477-23-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
62477-23-0
Multi CAS
No
Molecular Formula
C12H8BR4N2
Molecular Weight
499.820000
Exact Mass
499.738000
InChI
InChI=1S/C12H8Br4N2/c13-7-1-5(2-8(14)11(7)17)6-3-9(15)12(18)10(16)4-6/h1-4H,17-18H2
InChIKey
XSSHPNOMIXIEKR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
91.5
TPSA
52.04

LogP / Solubility

WLOGP
5.57
MLOGP
4.94
XLogP3
5
Consensus LogP
5.17
Log S (ESOL)
-6.87
Class (ESOL)
Insoluble
Log S (Ali)
-7.68
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.65
Class (SILICOS-IT)
Insoluble

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
Yes
Log Kp (skin permeation)
-1.82

Drug-likeness / Medicinal Chemistry

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

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