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CAS 1378260-23-1 7-Bromo-2-ethyl-1H-benzo[d]imidazole-5-carboxylic acid molecular structure lightbox
CAS RN: 1378260-23-1

7-Bromo-2-ethyl-1H-benzo[d]imidazole-5-carboxylic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250915 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-047444
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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 1378260-23-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

1378260-23-1 / 7-bromo-2-ethyl-3H-benzimidazole-5-carboxylic acid

Standard CAS: 1378260-23-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1378260-23-1
Multi CAS
No
Molecular Formula
C10H9BrN2O2
Molecular Weight
269.090000
Exact Mass
267.984740
SMILES
CCC1=NC2=C(N1)C=C(C=C2Br)C(=O)O
InChI
InChI=1S/C10H9BrN2O2/c1-2-8-12-7-4-5(10(14)15)3-6(11)9(7)13-8/h3-4H,2H2,1H3,(H,12,13)(H,14,15)
InChIKey
OXCZOTDCDAMDRC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
60.13
TPSA
65.98

LogP / Solubility

WLOGP
2.59
MLOGP
2.28
XLogP3
2.5
Consensus LogP
2.46
Log S (ESOL)
-3.45
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.63
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)
-2.53

Drug-likeness / Medicinal Chemistry

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

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