![CAS 1334411-79-8 4-Bromo-2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/1334411-79-8.png)
CAS RN: 1334411-79-8
4-Bromo-2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridine
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.20250605 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: LINB898492
1334411-79-8 / 4-bromo-2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridine
Basic Information
CAS
1334411-79-8
Multi CAS
No
Molecular Formula
C12H6BrCl2N3
Molecular Weight
343.000000
Exact Mass
340.912220
SMILES
C1=CC(=C(C(=C1)Cl)C2=NC3=C(N2)C=CN=C3Br)Cl
InChI
InChI=1S/C12H6BrCl2N3/c13-11-10-8(4-5-16-11)17-12(18-10)9-6(14)2-1-3-7(9)15/h1-5H,(H,17,18)
InChIKey
MTTMYYSIMBNURF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
15
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
77.04
TPSA
41.57
LogP / Solubility
WLOGP
4.69
MLOGP
4.15
XLogP3
4.4
Consensus LogP
4.41
Log S (ESOL)
-5.47
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.76
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.91
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.48
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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