![CAS 744209-63-0 1H-Pyrrolo[2,3-b]pyridine, 4-chloro-1-(phenylsulfonyl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/744209-63-0.gif)
CAS RN: 744209-63-0
1H-Pyrrolo[2,3-b]pyridine, 4-chloro-1-(phenylsulfonyl)-
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.20251218 | 1g / 5g / 25g / 100g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-183888
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 5g, 10g, 25g
- Available purity: >97%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
744209-63-0 / 1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridine
Basic Information
CAS
744209-63-0
Multi CAS
Yes
Molecular Formula
C13H9CLN2O2S
Molecular Weight
292.740000
Exact Mass
292.007326
InChI
InChI=1S/C13H9ClN2O2S/c14-12-6-8-15-13-11(12)7-9-16(13)19(17,18)10-4-2-1-3-5-10/h1-9H
InChIKey
ZWIKJILDMNXRAR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
15
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
73.77
TPSA
51.96
LogP / Solubility
WLOGP
2.93
MLOGP
2.59
XLogP3
3.1
Consensus LogP
2.87
Log S (ESOL)
-3.95
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.07
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.23
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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