![CAS 301220-34-8 3-(1-benzylpiperidin-4-yl)-3H-imidazo[4,5-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/301220-34-8.gif)
CAS RN: 301220-34-8
3-(1-benzylpiperidin-4-yl)-3H-imidazo[4,5-b]pyridine
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260212 | 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS301220-34-8
- Purity/Analytical Methods: >99.0%
301220-34-8 / 3-(1-benzylpiperidin-4-yl)imidazo[4,5-b]pyridine
Basic Information
CAS
301220-34-8
Multi CAS
No
Molecular Formula
C18H20N4
Molecular Weight
292.400000
Exact Mass
292.168797
InChI
InChI=1S/C18H20N4/c1-2-5-15(6-3-1)13-21-11-8-16(9-12-21)22-14-20-17-7-4-10-19-18(17)22/h1-7,10,14,16H,8-9,11-13H2
InChIKey
PPCBCJLLOQPIRW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
15
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
87.52
TPSA
33.95
LogP / Solubility
WLOGP
3.27
MLOGP
2.89
XLogP3
2.7
Consensus LogP
2.95
Log S (ESOL)
-4.02
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.32
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.63
Class (SILICOS-IT)
Slightly 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)
-2.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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