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CAS 540516-28-7 2-(HYDROXYMETHYL)-5-BROMO-1H-BENZOIMIDAZOLE molecular structure lightbox
CAS RN: 540516-28-7

2-(HYDROXYMETHYL)-5-BROMO-1H-BENZOIMIDAZOLE

  • Product code: SSC-161572
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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: 1g, 25g, 5g, 0.25g, 10g, 100g
  • Available purity: >95%
  • Inventory rows with stock: 6
  • 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 540516-28-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 5 In Stock Shanghai Inquiry
25g >95% 4 In Stock Shenzhen Inquiry
5g >95% 3 In Stock Shenzhen Inquiry
0.25g >95% 1 In Stock Shanghai Inquiry
10g >95% 1 In Stock Beijing Inquiry
100g >95% 1 In Stock Shanghai Inquiry

540516-28-7 / (6-bromo-1H-benzimidazol-2-yl)methanol

Standard CAS: 540516-28-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
540516-28-7
Multi CAS
No
Molecular Formula
BC8H7ORn2
Molecular Weight
227.060000
Exact Mass
225.974180
InChI
InChI=1S/C8H7BrN2O/c9-5-1-2-6-7(3-5)11-8(4-12)10-6/h1-3,12H,4H2,(H,10,11)
InChIKey
RXQCVQKHRKONLO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
49.72
TPSA
48.91

LogP / Solubility

WLOGP
1.82
MLOGP
1.6
XLogP3
1.8
Consensus LogP
1.74
Log S (ESOL)
-2.88
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.73
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.76
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.81

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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