![CAS 1823776-49-3 8-Benzyl 1-Tert-Butyl 2-(Aminomethyl)-1,8-Diazaspiro[4.5]Decane-1,8-Dicarboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1823776-49-3.gif)
CAS RN: 1823776-49-3
8-Benzyl 1-Tert-Butyl 2-(Aminomethyl)-1,8-Diazaspiro[4.5]Decane-1,8-Dicarboxylate
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.20251208 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1823776-49-3
- Purity/Analytical Methods: >99.0%
1823776-49-3 / 8-O-benzyl 1-O-tert-butyl 2-(aminomethyl)-1,8-diazaspiro[4.5]decane-1,8-dicarboxylate
Basic Information
CAS
1823776-49-3
Multi CAS
No
Molecular Formula
C22H33N3O4
Molecular Weight
403.500000
Exact Mass
403.247107
SMILES
CC(C)(C)OC(=O)N1C(CCC12CCN(CC2)C(=O)OCC3=CC=CC=C3)CN
InChI
InChI=1S/C22H33N3O4/c1-21(2,3)29-20(27)25-18(15-23)9-10-22(25)11-13-24(14-12-22)19(26)28-16-17-7-5-4-6-8-17/h4-8,18H,9-16,23H2,1-3H3
InChIKey
VOTWBPGJTROQJB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
6
Fraction Csp3
0.64
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
110.31
TPSA
85.1
LogP / Solubility
WLOGP
3.52
MLOGP
3.12
XLogP3
2.5
Consensus LogP
3.05
Log S (ESOL)
-4.51
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.41
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.56
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)
-2.69
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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