![CAS 1245649-93-7 tert-butyl 7-benzyl-2,7-diazaspiro[4.5]decane-2-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1245649-93-7.gif)
CAS RN: 1245649-93-7
tert-butyl 7-benzyl-2,7-diazaspiro[4.5]decane-2-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.20250802 | 100mg / 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1245649-93-7
- Purity/Analytical Methods: >99.0%
1245649-93-7 / tert-butyl 9-benzyl-2,9-diazaspiro[4.5]decane-2-carboxylate
Basic Information
CAS
1245649-93-7
Multi CAS
No
Molecular Formula
C20H30N2O2
Molecular Weight
330.500000
Exact Mass
330.230728
SMILES
CC(C)(C)OC(=O)N1CCC2(C1)CCCN(C2)CC3=CC=CC=C3
InChI
InChI=1S/C20H30N2O2/c1-19(2,3)24-18(23)22-13-11-20(16-22)10-7-12-21(15-20)14-17-8-5-4-6-9-17/h4-6,8-9H,7,10-16H2,1-3H3
InChIKey
VIVJOJHMUNGFKP-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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