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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
137419-24-0 / tert-butyl spiro[indene-1,4'-piperidine]-1'-carboxylate
Basic Information
CAS
137419-24-0
Multi CAS
No
Molecular Formula
C18H23NO2
Molecular Weight
285.400000
Exact Mass
285.172879
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)C=CC3=CC=CC=C23
InChI
InChI=1S/C18H23NO2/c1-17(2,3)21-16(20)19-12-10-18(11-13-19)9-8-14-6-4-5-7-15(14)18/h4-9H,10-13H2,1-3H3
InChIKey
HRTHPQOIDCOMHE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
84.2
TPSA
29.54
LogP / Solubility
WLOGP
3.98
MLOGP
3.51
XLogP3
3.9
Consensus LogP
3.8
Log S (ESOL)
-4.33
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.78
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.82
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.63
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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