![CAS 1092579-96-8 4-(trifluoroMethyl)-1H-pyrrolo[2,3-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1092579-96-8.gif)
CAS RN: 1092579-96-8
4-(trifluoroMethyl)-1H-pyrrolo[2,3-b]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.20250816 | 100mg / 250mg / 1g | Out of stock | 30 business days | Inquiry |
- Product code: SSC-010502
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1092579-96-8 / 4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine | 4-(Trifluoromethyl)-1H-pyrrolo(2,3-b)pyridine | RefChem:289517
Basic Information
CAS
1092579-96-8
Multi CAS
No
Molecular Formula
C8H5F3N2
Molecular Weight
186.130000
Exact Mass
186.040483
SMILES
C1=CNC2=NC=CC(=C21)C(F)(F)F
InChI
InChI=1S/C8H5F3N2/c9-8(10,11)6-2-4-13-7-5(6)1-3-12-7/h1-4H,(H,12,13)
InChIKey
YXLVZAOBNZQKEU-UHFFFAOYSA-N
Synonyms
4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
4-(Trifluoromethyl)-1H-pyrrolo(2,3-b)pyridine
RefChem:289517
MFCD12962629
SCHEMBL1565287
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
1
H-bond donors
1
Molar refractivity
41.1
TPSA
28.68
LogP / Solubility
WLOGP
2.58
MLOGP
2.27
XLogP3
2.2
Consensus LogP
2.35
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.95
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.01
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)
-2.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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