![CAS 1268521-74-9 tert-butyl 1-isopropyl-7-oxo-1,4,6,7-tetrahydrospiro[indazole-5,4′-piperidine]-1′-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1268521-74-9.gif)
CAS RN: 1268521-74-9
tert-butyl 1-isopropyl-7-oxo-1,4,6,7-tetrahydrospiro[indazole-5,4′-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.20251225 | 50mg / 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1268521-74-9
- Purity/Analytical Methods: >99.0%
1268521-74-9 / tert-butyl 7-oxo-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-1'-carboxylate
Basic Information
CAS
1268521-74-9
Multi CAS
No
Molecular Formula
C19H29N3O3
Molecular Weight
347.500000
Exact Mass
347.220892
SMILES
CC(C)N1C2=C(CC3(CCN(CC3)C(=O)OC(C)(C)C)CC2=O)C=N1
InChI
InChI=1S/C19H29N3O3/c1-13(2)22-16-14(12-20-22)10-19(11-15(16)23)6-8-21(9-7-19)17(24)25-18(3,4)5/h12-13H,6-11H2,1-5H3
InChIKey
JRQQDCDIUOWSDI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
5
Fraction Csp3
0.74
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
94.74
TPSA
64.43
LogP / Solubility
WLOGP
3.61
MLOGP
3.19
XLogP3
2.5
Consensus LogP
3.1
Log S (ESOL)
-4.35
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.02
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.03
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.28
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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