![CAS 1350653-24-5 5-fluoro-1-(2-fluorobenzyl)-3-iodo-1H-pyrazolo[3,4-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1350653-24-5.gif)
CAS RN: 1350653-24-5
5-fluoro-1-(2-fluorobenzyl)-3-iodo-1H-pyrazolo[3,4-b]pyridine
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: SSC-042967
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 |
1350653-24-5 / 5-fluoro-1-[(2-fluorophenyl)methyl]-3-iodopyrazolo[5,4-b]pyridine
Basic Information
CAS
1350653-24-5
Multi CAS
No
Molecular Formula
C13H8F2IN3
Molecular Weight
371.120000
Exact Mass
370.973100
SMILES
C1=CC=C(C(=C1)CN2C3=C(C=C(C=N3)F)C(=N2)I)F
InChI
InChI=1S/C13H8F2IN3/c14-9-5-10-12(16)18-19(13(10)17-6-9)7-8-3-1-2-4-11(8)15/h1-6H,7H2
InChIKey
QGHFTIKMLOOOSM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
15
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
75.71
TPSA
30.71
LogP / Solubility
WLOGP
3.36
MLOGP
2.98
XLogP3
3.3
Consensus LogP
3.21
Log S (ESOL)
-4.71
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.03
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.1
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)
-2.6
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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