![CAS 740839-25-2 1H-Pyrrolo[2,3-b]pyridine,1-(1-methylethyl)-(9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/740839-25-2.gif)
CAS RN: 740839-25-2
1H-Pyrrolo[2,3-b]pyridine,1-(1-methylethyl)-(9CI)
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.20260601 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS740839-25-2
- Purity/Analytical Methods: >99.0%
740839-25-2 / 1-propan-2-ylpyrrolo[2,3-b]pyridine
Basic Information
CAS
740839-25-2
Multi CAS
No
Molecular Formula
C10H12N2
Molecular Weight
160.220000
Exact Mass
160.100048
InChI
InChI=1S/C10H12N2/c1-8(2)12-7-5-9-4-3-6-11-10(9)12/h3-8H,1-2H3
InChIKey
HAPJKEFMMQDHSN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.3
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
50.12
TPSA
17.82
LogP / Solubility
WLOGP
2.62
MLOGP
2.3
XLogP3
2
Consensus LogP
2.31
Log S (ESOL)
-2.97
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.76
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.99
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.84
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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