![CAS 937012-11-8 1H-Pyrrolo[2,3-b]pyridine, 5-nitro-1-(phenylsulfonyl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/937012-11-8.gif)
CAS RN: 937012-11-8
1H-Pyrrolo[2,3-b]pyridine, 5-nitro-1-(phenylsulfonyl)-
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.20260331 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-208123
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
937012-11-8 / 1-(benzenesulfonyl)-5-nitropyrrolo[2,3-b]pyridine
Basic Information
CAS
937012-11-8
Multi CAS
Yes
Molecular Formula
C13H9N3O4S
Molecular Weight
303.300000
Exact Mass
303.031377
InChI
InChI=1S/C13H9N3O4S/c17-16(18)11-8-10-6-7-15(13(10)14-9-11)21(19,20)12-4-2-1-3-5-12/h1-9H
InChIKey
WLSHPXXCDBYQNM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
15
Rotatable bonds
3
H-bond acceptors
6
Molar refractivity
75.41
TPSA
95.1
LogP / Solubility
WLOGP
2.18
MLOGP
1.93
XLogP3
2.3
Consensus LogP
2.14
Log S (ESOL)
-3.43
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.62
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.8
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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