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CAS 255064-08-5 6-BROMO-1H-BENZOIMIDAZOLE-4-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 255064-08-5

6-BROMO-1H-BENZOIMIDAZOLE-4-CARBOXYLIC ACID

  • Product code: SSC-121525
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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: 1g
  • 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 255064-08-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

255064-08-5 / 6-bromo-1H-benzimidazole-4-carboxylic acid

Standard CAS: 255064-08-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
255064-08-5
Multi CAS
No
Molecular Formula
C8H5BrN2O2
Molecular Weight
241.040000
Exact Mass
239.953440
InChI
InChI=1S/C8H5BrN2O2/c9-4-1-5(8(12)13)7-6(2-4)10-3-11-7/h1-3H,(H,10,11)(H,12,13)
InChIKey
UPXJWWRKIMKJCY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
50.75
TPSA
65.98

LogP / Solubility

WLOGP
2.02
MLOGP
1.79
XLogP3
1.7
Consensus LogP
1.84
Log S (ESOL)
-3.06
Class (ESOL)
Poorly soluble
Log S (Ali)
-3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.03
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)
-2.75

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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