![CAS 83393-47-9 Ethanone, 2-chloro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)- (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/83393-47-9.gif)
CAS RN: 83393-47-9
Ethanone, 2-chloro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)- (9CI)
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250603 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS83393-47-9
- Purity/Analytical Methods: >99.0%
83393-47-9 / 2-chloro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
Basic Information
CAS
83393-47-9
Multi CAS
No
Molecular Formula
C9H7CLN2O
Molecular Weight
194.620000
Exact Mass
194.024691
InChI
InChI=1S/C9H7ClN2O/c10-4-8(13)7-5-12-9-6(7)2-1-3-11-9/h1-3,5H,4H2,(H,11,12)
InChIKey
RGALXXOVJMEHOD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
51.14
TPSA
45.75
LogP / Solubility
WLOGP
1.98
MLOGP
1.75
XLogP3
1.6
Consensus LogP
1.78
Log S (ESOL)
-2.68
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.59
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.81
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)
-2.5
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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