![CAS 1448422-61-4 Piperidine, 4-[[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-cyclobutyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1448422-61-4.gif)
CAS RN: 1448422-61-4
Piperidine, 4-[[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-cyclobutyl-
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250904 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1448422-61-4
- Purity/Analytical Methods: >99.0%
1448422-61-4 / 3-(1,3-benzodioxol-5-yl)-5-[(1-cyclobutylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
Basic Information
CAS
1448422-61-4
Multi CAS
No
Molecular Formula
C19H23N3O3
Molecular Weight
341.400000
Exact Mass
341.173942
SMILES
C1CC(C1)N2CCC(CC2)CC3=NC(=NO3)C4=CC5=C(C=C4)OCO5
InChI
InChI=1S/C19H23N3O3/c1-2-15(3-1)22-8-6-13(7-9-22)10-18-20-19(21-25-18)14-4-5-16-17(11-14)24-12-23-16/h4-5,11,13,15H,1-3,6-10,12H2
InChIKey
ATGQONNRRWKPGJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
11
Fraction Csp3
0.58
Rotatable bonds
4
H-bond acceptors
6
Molar refractivity
91.5
TPSA
60.62
LogP / Solubility
WLOGP
3.27
MLOGP
2.9
XLogP3
3.6
Consensus LogP
3.26
Log S (ESOL)
-4.08
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.72
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.08
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.48
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5
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