![CAS 1160247-77-7 TERT-BUTYL 2′,4′-DIHYDRO-1’H-SPIRO[PIPERIDINE-4,3′-QUINOLINE]-1-CARBOXYLATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1160247-77-7.gif)
CAS RN: 1160247-77-7
TERT-BUTYL 2′,4′-DIHYDRO-1’H-SPIRO[PIPERIDINE-4,3′-QUINOLINE]-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.20250223 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1160247-77-7
- Purity/Analytical Methods: >99.0%
1160247-77-7 / tert-butyl spiro[2,4-dihydro-1H-quinoline-3,4'-piperidine]-1'-carboxylate
tert-Butyl 2',4'-dihydro-1'H-spiro[piperidine-4,3'-quinoline]-1-carboxylate | tert-butyl 2',4'-dihydro-1'H-spiro(piperidine-4,3'-quinoline)-1-carboxylate | RefChem:892145
Basic Information
CAS
1160247-77-7
Multi CAS
Yes
Molecular Formula
C18H26N2O2
Molecular Weight
302.400000
Exact Mass
302.199428
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CC3=CC=CC=C3NC2
InChI
InChI=1S/C18H26N2O2/c1-17(2,3)22-16(21)20-10-8-18(9-11-20)12-14-6-4-5-7-15(14)19-13-18/h4-7,19H,8-13H2,1-3H3
InChIKey
WADUXZCOHAHPFB-UHFFFAOYSA-N
Synonyms
tert-Butyl 2',4'-dihydro-1'H-spiro[piperidine-4,3'-quinoline]-1-carboxylate
tert-butyl 2',4'-dihydro-1'H-spiro(piperidine-4,3'-quinoline)-1-carboxylate
RefChem:892145
871-759-0
MFCD12198639
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.61
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
88.11
TPSA
41.57
LogP / Solubility
WLOGP
3.67
MLOGP
3.24
XLogP3
3.4
Consensus LogP
3.44
Log S (ESOL)
-4.23
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.69
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.67
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)
-1.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Customers Also Viewed
-
![CAS 1160247-87-9 Tert-Butyl 1-Oxo-1,2,3,5-Tetrahydrospiro[Benzo[C]Azepine-4,4′-Piperidine]-1′-Carboxylate molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
Tert-Butyl 1-Oxo-1,2,3,5-Tetrahydrospiro[Benzo[C]Azepine-4,4′-Piperidine]-1′-Carboxylate
- CAS RN: 1160247-87-9
- Product Code: SSC-016090
-
1-(4-Methoxybenzyl)-5-trifluoromethoxyisatin
- CAS RN: 1160247-92-6
- Product Code: starshine_CAS1160247-92-6
- Purity/Analytical method: >99.0%
-
-
2′,3′,5′,6′-Tetrahydrospiro[indoline-3,4′-pyran]-5-carboxylic acid
- CAS RN: 1160247-96-0
- Product Code: starshine_CAS1160247-96-0
- Purity/Analytical method: >99.0%
-
Spiro[cyclohexane-1,3′-indoline]-5′-carboxylicacid
- CAS RN: 1160247-98-2
- Product Code: SSC-016092
-
TERT-BUTYL HEXAHYDRO-1H-PYRROLO[3,2-C]PYRIDINE-5(6H)-CARBOXYLATE
- CAS RN: 1160247-99-3
- Product Code: SSC-016093
![CAS 1160247-87-9 Tert-Butyl 1-Oxo-1,2,3,5-Tetrahydrospiro[Benzo[C]Azepine-4,4′-Piperidine]-1′-Carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1160247-87-9.gif)
![CAS 1160247-93-7 5′-bromospiro[cyclopentane-1,3′-indoline] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1160247-93-7.gif)
![CAS 1160247-96-0 2′,3′,5′,6′-Tetrahydrospiro[indoline-3,4′-pyran]-5-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1160247-96-0.gif)
![CAS 1160247-98-2 Spiro[cyclohexane-1,3′-indoline]-5′-carboxylicacid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1160247-98-2.gif)
![CAS 1160247-99-3 TERT-BUTYL HEXAHYDRO-1H-PYRROLO[3,2-C]PYRIDINE-5(6H)-CARBOXYLATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1160247-99-3.gif)