![CAS 1076197-93-7 6-chloro-1-methyl-1H-pyrazolo[3,4-b]pyridin-3-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1076197-93-7.gif)
CAS RN: 1076197-93-7
6-chloro-1-methyl-1H-pyrazolo[3,4-b]pyridin-3-amine
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260226 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250622 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20250207 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20260701 | 50mg / 250mg | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20250827 | 5g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1076197-93-7
- Purity/Analytical Methods: >99.0%
1076197-93-7 / 6-chloro-1-methylpyrazolo[5,4-b]pyridin-3-amine
6-Chloro-1-methyl-1H-pyrazolo[3,4-b]pyridin-3-amine | MFCD11109857 | 6-chloro-1-methylpyrazolo[3,4-b]pyridin-3-amine
Basic Information
CAS
1076197-93-7
Multi CAS
No
Molecular Formula
C7H7ClN4
Molecular Weight
182.610000
Exact Mass
182.035924
SMILES
CN1C2=C(C=CC(=N2)Cl)C(=N1)N
InChI
InChI=1S/C7H7ClN4/c1-12-7-4(6(9)11-12)2-3-5(8)10-7/h2-3H,1H3,(H2,9,11)
InChIKey
VVSSTMLVQAUZMC-UHFFFAOYSA-N
Synonyms
6-Chloro-1-methyl-1H-pyrazolo[3,4-b]pyridin-3-amine
MFCD11109857
6-chloro-1-methylpyrazolo[3,4-b]pyridin-3-amine
6-chloro-1-methyl-pyrazolo[3,4-b]pyridin-3-amine
DTXSID40672184
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.14
H-bond acceptors
4
H-bond donors
1
Molar refractivity
47.93
TPSA
56.73
LogP / Solubility
WLOGP
1.2
MLOGP
1.06
XLogP3
1.4
Consensus LogP
1.22
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.93
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.85
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.98
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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