CAS RN: 1352226-51-7
1H-Benzimidazole, 1-(3-bromophenyl)-
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250311 | 1g / 5g / 25g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1352226-51-7
- Purity/Analytical Methods: >99.0%
1352226-51-7 / 1-(3-bromophenyl)benzimidazole
Basic Information
CAS
1352226-51-7
Multi CAS
No
Molecular Formula
C13H9BrN2
Molecular Weight
273.130000
Exact Mass
271.994910
SMILES
C1=CC=C2C(=C1)N=CN2C3=CC(=CC=C3)Br
InChI
InChI=1S/C13H9BrN2/c14-10-4-3-5-11(8-10)16-9-15-12-6-1-2-7-13(12)16/h1-9H
InChIKey
IYETZQWUKMPUDQ-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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