![CAS 97989-41-8 4-CHLORO-1-METHYL-1H-PYRROLO[3,2-C]PYRIDINE-3-CARBALDEHYDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB1381762.gif)
CAS RN: 97989-41-8
4-CHLORO-1-METHYL-1H-PYRROLO[3,2-C]PYRIDINE-3-CARBALDEHYDE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260218 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS97989-41-8
- Purity/Analytical Methods: >99.0%
97989-41-8 / 4-chloro-1-methylpyrrolo[3,2-c]pyridine-3-carbaldehyde
Basic Information
CAS
97989-41-8
Multi CAS
Yes
Molecular Formula
C9H7CLN2O
Molecular Weight
194.620000
Exact Mass
194.024691
InChI
InChI=1S/C9H7ClN2O/c1-12-4-6(5-13)8-7(12)2-3-11-9(8)10/h2-5H,1H3
InChIKey
IPRPVCXXGYLMEM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
51.11
TPSA
34.89
LogP / Solubility
WLOGP
2.04
MLOGP
1.79
XLogP3
1.4
Consensus LogP
1.74
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.63
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.74
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)
-2.46
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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