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CAS 51036-77-2 2-(2-Bromoethyl)benzimidazole Hydrobromide molecular structure lightbox
CAS RN: 51036-77-2

2-(2-Bromoethyl)benzimidazole Hydrobromide

  • Product code: SSC-157805
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 8
  • 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 51036-77-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 2 In Stock Shenzhen Inquiry
0.1g ≥95% 2 In Stock Shenzhen Inquiry
0.25g -- 2 In Stock Beijing Inquiry
0.25g ≥95% 2 In Stock Beijing Inquiry
1g -- 2 In Stock Beijing Inquiry
1g ≥95% 2 In Stock Beijing Inquiry
5g -- 2 In Stock Beijing Inquiry
5g ≥95% 2 In Stock Shanghai Inquiry

51036-77-2 / 2-(2-bromoethyl)-1H-benzimidazole;hydrobromide

Standard CAS: 51036-77-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
51036-77-2
Multi CAS
No
Molecular Formula
C9H10BR2N2
Molecular Weight
306.000000
Exact Mass
305.919020
InChI
InChI=1S/C9H9BrN2.BrH/c10-6-5-9-11-7-3-1-2-4-8(7)12-9;/h1-4H,5-6H2,(H,11,12);1H
InChIKey
YTWXCNVGUGFUEC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
63.91
TPSA
28.68

LogP / Solubility

WLOGP
3.08
MLOGP
2.72
XLogP3
3.08
Consensus LogP
2.96
Log S (ESOL)
-4.06
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.29
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.44
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.4

Drug-likeness / Medicinal Chemistry

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

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