![CAS 1160247-52-8 Tert-Butyl 7-Bromo-3-Oxo-2,3-Dihydrospiro[Indene-1,4′-Piperidine]-1′-Carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1160247-52-8.gif)
CAS RN: 1160247-52-8
Tert-Butyl 7-Bromo-3-Oxo-2,3-Dihydrospiro[Indene-1,4′-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.20260328 | 100mg / 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1160247-52-8
- Purity/Analytical Methods: >99.0%
1160247-52-8 / tert-butyl 7-bromo-3-oxospiro[2H-indene-1,4'-piperidine]-1'-carboxylate
tert-butyl 7-bromo-3-oxo-2,3-dihydrospiro[indene-1,4'-piperidine]-1'-carboxylate | MFCD12198608 | tert-butyl 7-bromo-3-oxospiro[2H-indene-1,4'-piperidine]-1'-carboxylate
Basic Information
CAS
1160247-52-8
Multi CAS
No
Molecular Formula
C18H22BrNO3
Molecular Weight
380.300000
Exact Mass
379.078310
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)C3=C2C(=CC=C3)Br
InChI
InChI=1S/C18H22BrNO3/c1-17(2,3)23-16(22)20-9-7-18(8-10-20)11-14(21)12-5-4-6-13(19)15(12)18/h4-6H,7-11H2,1-3H3
InChIKey
BTKGZHPVSDECPY-UHFFFAOYSA-N
Synonyms
tert-butyl 7-bromo-3-oxo-2,3-dihydrospiro[indene-1,4'-piperidine]-1'-carboxylate
MFCD12198608
tert-butyl 7-bromo-3-oxospiro[2H-indene-1,4'-piperidine]-1'-carboxylate
Tert-Butyl 7-Bromo-3-Oxo-2,3-Dihydrospiro[Indene-1,4-Piperidine]-1-Carboxylate
SCHEMBL1951095
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
91.81
TPSA
46.61
LogP / Solubility
WLOGP
4.3
MLOGP
3.81
XLogP3
3.5
Consensus LogP
3.87
Log S (ESOL)
-5.1
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.79
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.7
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.98
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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