![CAS 1380160-28-0 6-chloro-5-methyl-1H-pyrrolo[2,3-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1380160-28-0.gif)
CAS RN: 1380160-28-0
6-chloro-5-methyl-1H-pyrrolo[2,3-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.20260126 | 100mg / 500mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1380160-28-0
- Purity/Analytical Methods: >99.0%
1380160-28-0 / 6-chloro-5-methyl-1H-pyrrolo[2,3-b]pyridine
Basic Information
CAS
1380160-28-0
Multi CAS
No
Molecular Formula
C8H7ClN2
Molecular Weight
166.610000
Exact Mass
166.029776
SMILES
CC1=CC2=C(NC=C2)N=C1Cl
InChI
InChI=1S/C8H7ClN2/c1-5-4-6-2-3-10-8(6)11-7(5)9/h2-4H,1H3,(H,10,11)
InChIKey
WYFGBNWVFFFIDP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
1
H-bond donors
1
Molar refractivity
45.84
TPSA
28.68
LogP / Solubility
WLOGP
2.52
MLOGP
2.22
XLogP3
2.6
Consensus LogP
2.45
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.75
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.84
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)
-1.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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