![CAS 396133-34-9 4,5,6,7-tetrahydro-1-phenyl-1H-pyrazolo[4,3-c]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/396133-34-9.gif)
CAS RN: 396133-34-9
4,5,6,7-tetrahydro-1-phenyl-1H-pyrazolo[4,3-c]pyridine
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251127 | 25mg / 100mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS396133-34-9
- Purity/Analytical Methods: >99.0%
396133-34-9 / 1-phenyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
Basic Information
CAS
396133-34-9
Multi CAS
Yes
Molecular Formula
C12H13N3
Molecular Weight
199.250000
Exact Mass
199.110947
InChI
InChI=1S/C12H13N3/c1-2-4-11(5-3-1)15-12-6-7-13-8-10(12)9-14-15/h1-5,9,13H,6-8H2
InChIKey
RPKPHRFHSJZLOR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
11
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
58.97
TPSA
29.85
LogP / Solubility
WLOGP
1.52
MLOGP
1.34
XLogP3
1.3
Consensus LogP
1.39
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.29
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.34
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)
-2.86
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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