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CAS 72054-56-9 4-(2-Bromoethyl)benzonitrile molecular structure lightbox
CAS RN: 72054-56-9

4-(2-Bromoethyl)benzonitrile

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250131 1g In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20250709 250mg In stock Shanghai Inquiry
Batchno.20260204 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong Inquiry
Batchno.20260425 25g Out of stock Inquiry
Batchno.20251012 5g In stock Shanghai Inquiry
  • Product code: SSC-181584
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 72054-56-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry

72054-56-9 / 5-bromo-1-methylindole

Standard CAS: 72054-56-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
72054-56-9
Multi CAS
Yes
Molecular Formula
BC9H8Rn
Molecular Weight
210.070000
Exact Mass
208.984010
InChI
InChI=1S/C9H8BrN/c10-6-5-8-1-3-9(7-11)4-2-8/h1-4H,5-6H2
InChIKey
NNNRGWOWXNCGCV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.11
H-bond acceptors
1
Molar refractivity
50.62
TPSA
4.93

LogP / Solubility

WLOGP
2.94
MLOGP
2.59
XLogP3
3.4
Consensus LogP
2.98
Log S (ESOL)
-3.6
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.41
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.47
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.91

Drug-likeness / Medicinal Chemistry

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

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