![CAS 1134328-05-4 “3-Iodo-5-Methoxy-1H-pyrazolo[4,3-b]pyridine” molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1134328-05-4.gif)
CAS RN: 1134328-05-4
“3-Iodo-5-Methoxy-1H-pyrazolo[4,3-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.20250407 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1134328-05-4
- Purity/Analytical Methods: >99.0%
1134328-05-4 / 3-iodo-5-methoxy-2H-pyrazolo[4,3-b]pyridine
3-Iodo-5-methoxy-1H-pyrazolo[4,3-b]pyridine | b]pyridine | MFCD11858404
Basic Information
CAS
1134328-05-4
Multi CAS
No
Molecular Formula
C7H6IN3O
Molecular Weight
275.050000
Exact Mass
274.955560
SMILES
COC1=NC2=C(NN=C2C=C1)I
InChI
InChI=1S/C7H6IN3O/c1-12-5-3-2-4-6(9-5)7(8)11-10-4/h2-3H,1H3,(H,10,11)
InChIKey
IKJCYTWAGMLTML-UHFFFAOYSA-N
Synonyms
3-Iodo-5-methoxy-1H-pyrazolo[4,3-b]pyridine
b]pyridine
MFCD11858404
3-Iodo-5-Methoxy-1H-pyrazolo[4,3-
3-iodo-5-methoxy-2H-pyrazolo[4,3-b]pyridine
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
53.16
TPSA
50.8
LogP / Solubility
WLOGP
1.57
MLOGP
1.39
XLogP3
1.6
Consensus LogP
1.52
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.95
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.87
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)
-3.28
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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