![CAS 1956376-66-1 1H-Imidazo[4,5-c]pyridine, 7-bromo-4-chloro-1-methyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1956376-66-1.gif)
CAS RN: 1956376-66-1
1H-Imidazo[4,5-c]pyridine, 7-bromo-4-chloro-1-methyl-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260221 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1956376-66-1
- Purity/Analytical Methods: >99.0%
1956376-66-1 / 7-bromo-4-chloro-1-methylimidazo[4,5-c]pyridine
Basic Information
CAS
1956376-66-1
Multi CAS
No
Molecular Formula
C7H5BrClN3
Molecular Weight
246.490000
Exact Mass
244.935540
SMILES
CN1C=NC2=C1C(=CN=C2Cl)Br
InChI
InChI=1S/C7H5BrClN3/c1-12-3-11-5-6(12)4(8)2-10-7(5)9/h2-3H,1H3
InChIKey
ROSAHQWALGNGSC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.14
H-bond acceptors
3
Molar refractivity
51.22
TPSA
30.71
LogP / Solubility
WLOGP
2.38
MLOGP
2.1
XLogP3
2
Consensus LogP
2.16
Log S (ESOL)
-3.43
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.24
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
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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