![CAS 676607-31-1 TERT-BUTYL SPIRO[INDOLE-3,4′-PIPERIDINE]-1(2H)-CARBOXYLATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/676607-31-1.gif)
CAS RN: 676607-31-1
TERT-BUTYL SPIRO[INDOLE-3,4′-PIPERIDINE]-1(2H)-CARBOXYLATE
- Product code: SSC-177428
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: >97%
- 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 | >97% | 0 Out of Stock | Shenzhen | Inquiry |
676607-31-1 / tert-butyl spiro[2H-indole-3,4'-piperidine]-1-carboxylate
Basic Information
CAS
676607-31-1
Multi CAS
No
Molecular Formula
C17H24N2O2
Molecular Weight
288.400000
Exact Mass
288.183778
InChI
InChI=1S/C17H24N2O2/c1-16(2,3)21-15(20)19-12-17(8-10-18-11-9-17)13-6-4-5-7-14(13)19/h4-7,18H,8-12H2,1-3H3
InChIKey
UIEGYIFDVIDYHB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.59
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
83.8
TPSA
41.57
LogP / Solubility
WLOGP
3.06
MLOGP
2.71
XLogP3
2.6
Consensus LogP
2.79
Log S (ESOL)
-3.77
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.14
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.08
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.3
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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