![CAS 1305324-99-5 5-Iodo-1H-pyrazolo[3,4-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB42688178.gif)
CAS RN: 1305324-99-5
5-Iodo-1H-pyrazolo[3,4-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.20260212 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1305324-99-5
- Purity/Analytical Methods: >99.0%
1305324-99-5 / 5-iodo-1H-pyrazolo[3,4-b]pyridine
Basic Information
CAS
1305324-99-5
Multi CAS
No
Molecular Formula
C6H4IN3
Molecular Weight
245.020000
Exact Mass
244.944990
SMILES
C1=C2C=NNC2=NC=C1I
InChI
InChI=1S/C6H4IN3/c7-5-1-4-2-9-10-6(4)8-3-5/h1-3H,(H,8,9,10)
InChIKey
NUGYPSIUBDHUFV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
9
H-bond acceptors
2
H-bond donors
1
Molar refractivity
46.61
TPSA
41.57
LogP / Solubility
WLOGP
1.56
MLOGP
1.38
XLogP3
1.5
Consensus LogP
1.48
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.7
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.55
Class (SILICOS-IT)
Moderately 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)
-3.11
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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