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CAS 221636-18-6 5-BROMO-1-PHENYL-1H-BENZOIMIDAZOLE molecular structure lightbox
CAS RN: 221636-18-6

5-BROMO-1-PHENYL-1H-BENZOIMIDAZOLE

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250610 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong, Guangdong Inquiry
  • Product code: SSC-106614
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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: 0.25g, 1g, 5g, 10g, 25g
  • Available purity: >97%
  • Inventory rows with stock: 10
  • 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 221636-18-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g -- 1 In Stock Beijing Inquiry
0.25g >97% 1 In Stock Beijing Inquiry
1g -- 1 In Stock Shanghai Inquiry
1g >97% 1 In Stock Beijing Inquiry
5g -- 1 In Stock Shanghai Inquiry
5g >97% 1 In Stock Hong Kong Inquiry
10g -- 1 In Stock Hong Kong Inquiry
10g >97% 1 In Stock Hong Kong Inquiry
25g -- 1 In Stock Beijing Inquiry
25g >97% 1 In Stock Shanghai Inquiry

221636-18-6 / 5-bromo-1-phenylbenzimidazole

Standard CAS: 221636-18-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
221636-18-6
Multi CAS
No
Molecular Formula
C13H9BrN2
Molecular Weight
273.130000
Exact Mass
271.994910
SMILES
C1=CC=C(C=C1)N2C=NC3=C2C=CC(=C3)Br
InChI
InChI=1S/C13H9BrN2/c14-10-6-7-13-12(8-10)15-9-16(13)11-4-2-1-3-5-11/h1-9H
InChIKey
OCVMHOYOAZUGSK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
15
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
68.77
TPSA
17.82

LogP / Solubility

WLOGP
3.79
MLOGP
3.34
XLogP3
3.8
Consensus LogP
3.64
Log S (ESOL)
-4.55
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.53
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.7
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.7

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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