![CAS 1547041-34-8 7-Chloro-1-methyl-1H-pyrrolo[3,2-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1547041-34-8.gif)
CAS RN: 1547041-34-8
7-Chloro-1-methyl-1H-pyrrolo[3,2-b]pyridine
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.20260501 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS1547041-34-8
- Purity/Analytical Methods: >99.0%
1547041-34-8 / 7-chloro-1-methylpyrrolo[3,2-b]pyridine
Basic Information
CAS
1547041-34-8
Multi CAS
No
Molecular Formula
C8H7ClN2
Molecular Weight
166.610000
Exact Mass
166.029776
SMILES
CN1C=CC2=NC=CC(=C21)Cl
InChI
InChI=1S/C8H7ClN2/c1-11-5-3-7-8(11)6(9)2-4-10-7/h2-5H,1H3
InChIKey
LXOACAFBFHCWDX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
2
Molar refractivity
45.72
TPSA
17.82
LogP / Solubility
WLOGP
2.23
MLOGP
1.96
XLogP3
1.6
Consensus LogP
1.93
Log S (ESOL)
-2.88
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.53
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.59
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)
-2.16
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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