![CAS 625386-57-4 1H-Pyrrolo[2,3-b]pyridine, 3-(1-piperazinylmethyl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/625386-57-4.gif)
CAS RN: 625386-57-4
1H-Pyrrolo[2,3-b]pyridine, 3-(1-piperazinylmethyl)-
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.20250516 | 100mg / 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS625386-57-4
- Purity/Analytical Methods: >99.0%
625386-57-4 / 3-(piperazin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
Basic Information
CAS
625386-57-4
Multi CAS
Yes
Molecular Formula
C12H16N4
Molecular Weight
216.280000
Exact Mass
216.137497
InChI
InChI=1S/C12H16N4/c1-2-11-10(8-15-12(11)14-3-1)9-16-6-4-13-5-7-16/h1-3,8,13H,4-7,9H2,(H,14,15)
InChIKey
MCGNRNJEWMZYON-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.42
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
64.24
TPSA
43.95
LogP / Solubility
WLOGP
0.97
MLOGP
0.85
XLogP3
0.5
Consensus LogP
0.77
Log S (ESOL)
-2.08
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.03
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.11
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.35
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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