![CAS 1823930-41-1 5,7-Dichloro-1-methyl-1H-imidazo[4,5-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB73130633.gif)
CAS RN: 1823930-41-1
5,7-Dichloro-1-methyl-1H-imidazo[4,5-b]pyridine
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2 package records1 with current stock1 grade group
- Product code: starshine_CAS1823930-41-1
- Purity/Analytical Methods: >99.0%
1823930-41-1 / 5,7-dichloro-1-methylimidazo[4,5-b]pyridine
Basic Information
CAS
1823930-41-1
Multi CAS
No
Molecular Formula
C7H5Cl2N3
Molecular Weight
202.040000
Exact Mass
200.986053
SMILES
CN1C=NC2=C1C(=CC(=N2)Cl)Cl
InChI
InChI=1S/C7H5Cl2N3/c1-12-3-10-7-6(12)4(8)2-5(9)11-7/h2-3H,1H3
InChIKey
ZDRSANSMVFLCEO-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
48.53
TPSA
30.71
LogP / Solubility
WLOGP
2.28
MLOGP
2
XLogP3
2.3
Consensus LogP
2.19
Log S (ESOL)
-3.08
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.86
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.86
Class (SILICOS-IT)
Moderately 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)
-2.34
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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