![CAS 1782461-34-0 6-Benzyl-1,2,4,5,6,7-hexahydro-3H-pyrazolo[3,4-c]pyridin-3-one hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1782461-34-0.gif)
CAS RN: 1782461-34-0
6-Benzyl-1,2,4,5,6,7-hexahydro-3H-pyrazolo[3,4-c]pyridin-3-one hydrochloride
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.20250104 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1782461-34-0
- Purity/Analytical Methods: >99.0%
1782461-34-0 / 6-benzyl-2,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one;hydrochloride
Basic Information
CAS
1782461-34-0
Multi CAS
No
Molecular Formula
C13H16ClN3O
Molecular Weight
265.740000
Exact Mass
265.098190
SMILES
C1CN(CC2=C1C(=O)NN2)CC3=CC=CC=C3.Cl
InChI
InChI=1S/C13H15N3O.ClH/c17-13-11-6-7-16(9-12(11)14-15-13)8-10-4-2-1-3-5-10;/h1-5H,6-9H2,(H2,14,15,17);1H
InChIKey
VCMVOXCGLSKOOJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
11
Fraction Csp3
0.31
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
72.92
TPSA
51.89
LogP / Solubility
WLOGP
1.68
MLOGP
1.49
XLogP3
1.68
Consensus LogP
1.62
Log S (ESOL)
-2.87
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.95
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.02
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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