CAS RN: 1245645-53-7
propan-2-yl 4-(1H-pyrazol-4-yl)piperidine-1-carboxylate
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.20250309 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1245645-53-7
- Purity/Analytical Methods: >99.0%
1245645-53-7 / propan-2-yl 4-(1H-pyrazol-4-yl)piperidine-1-carboxylate
Basic Information
CAS
1245645-53-7
Multi CAS
No
Molecular Formula
C12H19N3O2
Molecular Weight
237.300000
Exact Mass
237.147727
SMILES
CC(C)OC(=O)N1CCC(CC1)C2=CNN=C2
InChI
InChI=1S/C12H19N3O2/c1-9(2)17-12(16)15-5-3-10(4-6-15)11-7-13-14-8-11/h7-10H,3-6H2,1-2H3,(H,13,14)
InChIKey
MCGXWBVLWZEYBJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
5
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
63.75
TPSA
58.22
LogP / Solubility
WLOGP
2.13
MLOGP
1.88
XLogP3
1.5
Consensus LogP
1.84
Log S (ESOL)
-2.74
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.05
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.21
Class (SILICOS-IT)
Poorly 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)
-2.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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