![CAS 236406-46-5 tert-butyl 2-benzyl-2,7-diazaspiro[4.5]decane-7-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/236406-46-5.gif)
CAS RN: 236406-46-5
tert-butyl 2-benzyl-2,7-diazaspiro[4.5]decane-7-carboxylate
- Product code: SSC-115064
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 | Hong Kong | Inquiry |
236406-46-5 / tert-butyl 2-benzyl-2,7-diazaspiro[4.5]decane-7-carboxylate
Basic Information
CAS
236406-46-5
Multi CAS
No
Molecular Formula
C20H30N2O2
Molecular Weight
330.500000
Exact Mass
330.230728
SMILES
CC(C)(C)OC(=O)N1CCCC2(C1)CCN(C2)CC3=CC=CC=C3
InChI
InChI=1S/C20H30N2O2/c1-19(2,3)24-18(23)22-12-7-10-20(16-22)11-13-21(15-20)14-17-8-5-4-6-9-17/h4-6,8-9H,7,10-16H2,1-3H3
InChIKey
ZHDQSHASPMOJOI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.65
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
95.81
TPSA
32.78
LogP / Solubility
WLOGP
3.91
MLOGP
3.46
XLogP3
3.4
Consensus LogP
3.59
Log S (ESOL)
-4.4
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.09
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.29
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
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
4
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