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CAS 937372-45-7 4-(10-Bromoanthracen-9-yl)benzonitrile molecular structure lightbox
CAS RN: 937372-45-7

4-(10-Bromoanthracen-9-yl)benzonitrile

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260127 100mg In stock Shanghai Inquiry
Batchno.20250722 1g In stock Shanghai Inquiry
Batchno.20250813 250mg In stock Shanghai Inquiry
Batchno.20260123 25g In stock Shanghai Inquiry
Batchno.20251109 5g In stock Shanghai Inquiry
  • Product code: ICTB6114
  • Purity/Analytical Methods: >98.0%(GC)
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937372-45-7 / 4-(10-bromoanthracen-9-yl)benzonitrile

Standard CAS: 937372-45-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
937372-45-7
Multi CAS
No
Molecular Formula
BC21H12Rn
Molecular Weight
358.200000
Exact Mass
357.015310
InChI
InChI=1S/C21H12BrN/c22-21-18-7-3-1-5-16(18)20(17-6-2-4-8-19(17)21)15-11-9-14(13-23)10-12-15/h1-12H
InChIKey
RNHJKKXBUXNXPB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
20
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
99.31
TPSA
23.79

LogP / Solubility

WLOGP
6.29
MLOGP
5.56
XLogP3
6.5
Consensus LogP
6.12
Log S (ESOL)
-6.6
Class (ESOL)
Insoluble
Log S (Ali)
-7.04
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.33
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)
-0.44

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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