![CAS 1092579-78-6 1H-Pyrazolo[3,4-b]pyridine, 5-broMo-4-chloro-3-iodo- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1092579-78-6.gif)
CAS RN: 1092579-78-6
1H-Pyrazolo[3,4-b]pyridine, 5-broMo-4-chloro-3-iodo-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251124 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1092579-78-6
- Purity/Analytical Methods: >99.0%
1092579-78-6 / 5-bromo-4-chloro-3-iodo-2H-pyrazolo[3,4-b]pyridine
5-Bromo-4-chloro-3-iodo-1H-pyrazolo[3,4-b]pyridine | 5-bromo-4-chloro-3-iodo-2H-pyrazolo[3,4-b]pyridine | MFCD21604023
Basic Information
CAS
1092579-78-6
Multi CAS
No
Molecular Formula
C6H2BrClIN3
Molecular Weight
358.360000
Exact Mass
356.816530
SMILES
C1=NC2=NNC(=C2C(=C1Br)Cl)I
InChI
InChI=1S/C6H2BrClIN3/c7-2-1-10-6-3(4(2)8)5(9)11-12-6/h1H,(H,10,11,12)
InChIKey
PJPZPJYPWWPXNW-UHFFFAOYSA-N
Synonyms
5-Bromo-4-chloro-3-iodo-1H-pyrazolo[3,4-b]pyridine
5-bromo-4-chloro-3-iodo-2H-pyrazolo[3,4-b]pyridine
MFCD21604023
C6H2BrClIN3
1H-Pyrazolo[3,4-b]pyridine, 5-broMo-4-chloro-3-iodo-
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
H-bond acceptors
2
H-bond donors
1
Molar refractivity
59.32
TPSA
41.57
LogP / Solubility
WLOGP
2.98
MLOGP
2.64
XLogP3
2.8
Consensus LogP
2.81
Log S (ESOL)
-4.49
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.65
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.46
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)
-2.79
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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