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CAS 851233-23-3 4-bromo-N,N-bis(4-(tert-butyl)phenyl)aniline molecular structure lightbox
CAS RN: 851233-23-3

4-bromo-N,N-bis(4-(tert-butyl)phenyl)aniline

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251213 1g In stock Shanghai, Shandong, Guangdong Inquiry
Batchno.20250512 250mg Out of stock 5-7 business days Inquiry
Batchno.20250118 5g In stock Shandong Inquiry
  • Product code: starshine_CAS851233-23-3
  • Purity/Analytical Methods: >99.0%
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851233-23-3 / N-(4-bromophenyl)-4-tert-butyl-N-(4-tert-butylphenyl)aniline

Standard CAS: 851233-23-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
851233-23-3
Multi CAS
No
Molecular Formula
BC26H30Rn
Molecular Weight
436.400000
Exact Mass
435.156160
InChI
InChI=1S/C26H30BrN/c1-25(2,3)19-7-13-22(14-8-19)28(24-17-11-21(27)12-18-24)23-15-9-20(10-16-23)26(4,5)6/h7-18H,1-6H3
InChIKey
NPGGLZWVRNBLFX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
18
Fraction Csp3
0.31
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
126.23
TPSA
3.24

LogP / Solubility

WLOGP
8.51
MLOGP
7.52
XLogP3
9.2
Consensus LogP
8.41
Log S (ESOL)
-8.19
Class (ESOL)
Insoluble
Log S (Ali)
-9.29
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.92
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)
0.66

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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