![CAS 2680615-93-2 2-Methyl-3-(piperidin-4-yl)-3H-imidazo[4,5-b]pyridine dihydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2680615-93-2.gif)
CAS RN: 2680615-93-2
2-Methyl-3-(piperidin-4-yl)-3H-imidazo[4,5-b]pyridine dihydrochloride
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.20250701 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2680615-93-2
- Purity/Analytical Methods: >99.0%
2680615-93-2 / 2-methyl-3-piperidin-4-ylimidazo[4,5-b]pyridine;dihydrochloride
Basic Information
CAS
2680615-93-2
Multi CAS
No
Molecular Formula
C12H18Cl2N4
Molecular Weight
289.200000
Exact Mass
288.090852
SMILES
CC1=NC2=C(N1C3CCNCC3)N=CC=C2.Cl.Cl
InChI
InChI=1S/C12H16N4.2ClH/c1-9-15-11-3-2-6-14-12(11)16(9)10-4-7-13-8-5-10;;/h2-3,6,10,13H,4-5,7-8H2,1H3;2*1H
InChIKey
GALAEJOEVOJLDR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
77.9
TPSA
42.74
LogP / Solubility
WLOGP
2.51
MLOGP
2.22
XLogP3
2.51
Consensus LogP
2.41
Log S (ESOL)
-3.52
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.74
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.74
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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