![CAS 1415560-12-1 tert-butyl 7-benzyl-1,7-diazaspiro[4.5]decane-1-carboxylate oxalate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB62624338(1).gif)
CAS RN: 1415560-12-1
tert-butyl 7-benzyl-1,7-diazaspiro[4.5]decane-1-carboxylate oxalate
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.20250826 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1415560-12-1
- Purity/Analytical Methods: >99.0%
1415560-12-1 / tert-butyl 9-benzyl-1,9-diazaspiro[4.5]decane-1-carboxylate;oxalic acid
Basic Information
CAS
1415560-12-1
Multi CAS
No
Molecular Formula
C22H32N2O6
Molecular Weight
420.500000
Exact Mass
420.226037
SMILES
CC(C)(C)OC(=O)N1CCCC12CCCN(C2)CC3=CC=CC=C3.C(=O)(C(=O)O)O
InChI
InChI=1S/C20H30N2O2.C2H2O4/c1-19(2,3)24-18(23)22-14-8-12-20(22)11-7-13-21(16-20)15-17-9-5-4-6-10-17;3-1(4)2(5)6/h4-6,9-10H,7-8,11-16H2,1-3H3;(H,3,4)(H,5,6)
InChIKey
NMAYXQGLBMIQJJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
6
Fraction Csp3
0.59
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
2
Molar refractivity
111.13
TPSA
107.38
LogP / Solubility
WLOGP
3.21
MLOGP
2.85
XLogP3
3.21
Consensus LogP
3.09
Log S (ESOL)
-4.48
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.32
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.3
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
Yes
Log Kp (skin permeation)
-3.01
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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