![CAS 1221153-79-2 5-chloro-1-isopropyl-1H-pyrrolo[2,3-c]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1221153-79-2.gif)
CAS RN: 1221153-79-2
5-chloro-1-isopropyl-1H-pyrrolo[2,3-c]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.20260503 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1221153-79-2
- Purity/Analytical Methods: >99.0%
1221153-79-2 / 5-chloro-1-propan-2-ylpyrrolo[2,3-c]pyridine
Basic Information
CAS
1221153-79-2
Multi CAS
No
Molecular Formula
C10H11ClN2
Molecular Weight
194.660000
Exact Mass
194.061076
SMILES
CC(C)N1C=CC2=CC(=NC=C21)Cl
InChI
InChI=1S/C10H11ClN2/c1-7(2)13-4-3-8-5-10(11)12-6-9(8)13/h3-7H,1-2H3
InChIKey
LZAVVXYESLVJMB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.3
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
55.13
TPSA
17.82
LogP / Solubility
WLOGP
3.27
MLOGP
2.88
XLogP3
2.6
Consensus LogP
2.92
Log S (ESOL)
-3.55
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.52
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.76
Class (SILICOS-IT)
Poorly 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)
-1.59
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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