![CAS 1172067-98-9 1H-Pyrrolo[2,3-b]pyridine, 5-broMo-4-fluoro-1-(phenylsulfonyl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1172067-98-9.gif)
CAS RN: 1172067-98-9
1H-Pyrrolo[2,3-b]pyridine, 5-broMo-4-fluoro-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.20250102 | 100mg / 500mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-017085
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 | Shenzhen | Inquiry |
1172067-98-9 / 1-(benzenesulfonyl)-5-bromo-4-fluoropyrrolo[2,3-b]pyridine
5-BROMO-4-FLUORO-1-(PHENYLSULFONYL)-7-AZAINDOLE | 5-BROMO-4-FLUORO-1-(PHENYLSULFONYL)-1H-PYRROLO[2,3-B]PYRIDINE | 1-(benzenesulfonyl)-5-bromo-4-fluoro-1H-pyrrolo[2,3-b]pyridine
Basic Information
CAS
1172067-98-9
Multi CAS
No
Molecular Formula
C13H8BrFN2O2S
Molecular Weight
355.180000
Exact Mass
353.947390
SMILES
C1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C(C(=CN=C32)Br)F
InChI
InChI=1S/C13H8BrFN2O2S/c14-11-8-16-13-10(12(11)15)6-7-17(13)20(18,19)9-4-2-1-3-5-9/h1-8H
InChIKey
KJXUMHKQPPSEJB-UHFFFAOYSA-N
Synonyms
5-BROMO-4-FLUORO-1-(PHENYLSULFONYL)-7-AZAINDOLE
5-BROMO-4-FLUORO-1-(PHENYLSULFONYL)-1H-PYRROLO[2,3-B]PYRIDINE
1-(benzenesulfonyl)-5-bromo-4-fluoro-1H-pyrrolo[2,3-b]pyridine
MFCD15529432
1-(benzenesulfonyl)-5-bromo-4-fluoropyrrolo[2,3-b]pyridine
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
15
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
76.42
TPSA
51.96
LogP / Solubility
WLOGP
3.17
MLOGP
2.81
XLogP3
3.3
Consensus LogP
3.09
Log S (ESOL)
-4.47
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.76
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.84
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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