![CAS 159634-80-7 TERT-BUTYL 2,3-DIHYDRO-1H-SPIRO[ISOQUINOLINE-4,4′-PIPERIDINE]-1′-CARBOXYLATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/159634-80-7.gif)
CAS RN: 159634-80-7
TERT-BUTYL 2,3-DIHYDRO-1H-SPIRO[ISOQUINOLINE-4,4′-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.20260215 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-067593
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
159634-80-7 / tert-butyl spiro[2,3-dihydro-1H-isoquinoline-4,4'-piperidine]-1'-carboxylate
Basic Information
CAS
159634-80-7
Multi CAS
No
Molecular Formula
C18H26N2O2
Molecular Weight
302.400000
Exact Mass
302.199428
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CNCC3=CC=CC=C23
InChI
InChI=1S/C18H26N2O2/c1-17(2,3)22-16(21)20-10-8-18(9-11-20)13-19-12-14-6-4-5-7-15(14)18/h4-7,19H,8-13H2,1-3H3
InChIKey
MHALRZHJLIMHKE-UHFFFAOYSA-N
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
86.87
TPSA
41.57
LogP / Solubility
WLOGP
3.06
MLOGP
2.7
XLogP3
2.5
Consensus LogP
2.75
Log S (ESOL)
-3.84
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.25
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.16
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)
-2.39
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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