![CAS 2633010-57-6 4-Bromo-1-methyl-1H-pyrazolo[4,3-c]pyridine-6-carboxylic acid methyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2633010-57-6.gif)
CAS RN: 2633010-57-6
4-Bromo-1-methyl-1H-pyrazolo[4,3-c]pyridine-6-carboxylic acid methyl ester
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.20260327 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2633010-57-6
- Purity/Analytical Methods: >99.0%
2633010-57-6 / methyl 4-bromo-1-methylpyrazolo[4,3-c]pyridine-6-carboxylate
Basic Information
CAS
2633010-57-6
Multi CAS
No
Molecular Formula
C9H8BrN3O2
Molecular Weight
270.080000
Exact Mass
268.979990
SMILES
CN1C2=CC(=NC(=C2C=N1)Br)C(=O)OC
InChI
InChI=1S/C9H8BrN3O2/c1-13-7-3-6(9(14)15-2)12-8(10)5(7)4-11-13/h3-4H,1-2H3
InChIKey
QWWKLLOGZVPAGD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
57.55
TPSA
57.01
LogP / Solubility
WLOGP
1.52
MLOGP
1.34
XLogP3
1.7
Consensus LogP
1.52
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.8
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)
-3.29
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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