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CAS 1770-31-6 4-Bromo-2-phenyl-1H-benzo[d]imidazole molecular structure lightbox
CAS RN: 1770-31-6

4-Bromo-2-phenyl-1H-benzo[d]imidazole

  • Product code: SSC-077425
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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 1770-31-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

1770-31-6 / 4-bromo-2-phenyl-1H-benzimidazole

Standard CAS: 1770-31-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1770-31-6
Multi CAS
No
Molecular Formula
C13H9BrN2
Molecular Weight
273.130000
Exact Mass
271.994910
SMILES
C1=CC=C(C=C1)C2=NC3=C(N2)C=CC=C3Br
InChI
InChI=1S/C13H9BrN2/c14-10-7-4-8-11-12(10)16-13(15-11)9-5-2-1-3-6-9/h1-8H,(H,15,16)
InChIKey
FIRNYZVCPTVUQH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
15
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
69.23
TPSA
28.68

LogP / Solubility

WLOGP
3.99
MLOGP
3.52
XLogP3
3.9
Consensus LogP
3.8
Log S (ESOL)
-4.68
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.68
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.87
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)
-1.55

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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