![CAS 1243165-09-4 5-Fluoro-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine0 molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1243165-09-4.gif)
CAS RN: 1243165-09-4
5-Fluoro-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine0
- Product code: SSC-028213
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 |
1243165-09-4 / 5-fluoro-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine
Basic Information
CAS
1243165-09-4
Multi CAS
No
Molecular Formula
C7H7FN2
Molecular Weight
138.140000
Exact Mass
138.059326
SMILES
C1CNC2=C1C=C(C=N2)F
InChI
InChI=1S/C7H7FN2/c8-6-3-5-1-2-9-7(5)10-4-6/h3-4H,1-2H2,(H,9,10)
InChIKey
GSGZHLAUWIWLQL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.29
H-bond acceptors
2
H-bond donors
1
Molar refractivity
36.39
TPSA
24.92
LogP / Solubility
WLOGP
1.19
MLOGP
1.04
XLogP3
1.3
Consensus LogP
1.18
Log S (ESOL)
-1.89
Class (ESOL)
Soluble
Log S (Ali)
-1.55
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.54
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.72
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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