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CAS 89245-35-2 2-(4-bromo-1H-indol-3-yl)acetonitrile molecular structure lightbox
CAS RN: 89245-35-2

2-(4-bromo-1H-indol-3-yl)acetonitrile

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260119 250mg / 1g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-201126
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 5g, 1g, 0.1g, 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 89245-35-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 5 In Stock Hong Kong Inquiry
1g ≥95% 4 In Stock Shenzhen Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

89245-35-2 / 2-(4-bromo-1H-indol-3-yl)acetonitrile

Standard CAS: 89245-35-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
89245-35-2
Multi CAS
No
Molecular Formula
BC10H7Rn2
Molecular Weight
235.080000
Exact Mass
233.979260
InChI
InChI=1S/C10H7BrN2/c11-8-2-1-3-9-10(8)7(4-5-12)6-13-9/h1-3,6,13H,4H2
InChIKey
CGFUOBNYUICDPH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
55.32
TPSA
39.58

LogP / Solubility

WLOGP
3
MLOGP
2.64
XLogP3
2.4
Consensus LogP
2.68
Log S (ESOL)
-3.63
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.65
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.8
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)
-2.03

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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