![CAS 1313738-72-5 1-(2-Fluorobenzyl)-3-iodo-1H-pyrazolo[3,4-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1313738-72-5.gif)
CAS RN: 1313738-72-5
1-(2-Fluorobenzyl)-3-iodo-1H-pyrazolo[3,4-b]pyridine
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260316 | 1g / 5g / 25g / 100g | Confirm by inquiry | Shanghai | 15 business days | Inquiry |
- Product code: SSC-038194
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
1313738-72-5 / 1-[(2-fluorophenyl)methyl]-3-iodopyrazolo[5,4-b]pyridine
Basic Information
CAS
1313738-72-5
Multi CAS
No
Molecular Formula
C13H9FIN3
Molecular Weight
353.130000
Exact Mass
352.982520
SMILES
C1=CC=C(C(=C1)CN2C3=C(C=CC=N3)C(=N2)I)F
InChI
InChI=1S/C13H9FIN3/c14-11-6-2-1-4-9(11)8-18-13-10(12(15)17-18)5-3-7-16-13/h1-7H,8H2
InChIKey
GQXVRHDLHZVBCE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
15
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
75.75
TPSA
30.71
LogP / Solubility
WLOGP
3.22
MLOGP
2.85
XLogP3
3.2
Consensus LogP
3.09
Log S (ESOL)
-4.54
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.78
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.87
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)
-2.59
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
Safety & Transport
GHS Hazard Statements
Not Classified
Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.
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