![CAS 1445951-71-2 2-Benzyl 8-Tert-Butyl 3-(Hydroxymethyl)-2,8-Diazaspiro[4.5]Decane-2,8-Dicarboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1445951-71-2.gif)
CAS RN: 1445951-71-2
2-Benzyl 8-Tert-Butyl 3-(Hydroxymethyl)-2,8-Diazaspiro[4.5]Decane-2,8-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.20251205 | 100mg / 500mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1445951-71-2
- Purity/Analytical Methods: >99.0%
1445951-71-2 / 2-O-benzyl 8-O-tert-butyl 3-(hydroxymethyl)-2,8-diazaspiro[4.5]decane-2,8-dicarboxylate
Basic Information
CAS
1445951-71-2
Multi CAS
No
Molecular Formula
C22H32N2O5
Molecular Weight
404.500000
Exact Mass
404.231122
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CC(N(C2)C(=O)OCC3=CC=CC=C3)CO
InChI
InChI=1S/C22H32N2O5/c1-21(2,3)29-19(26)23-11-9-22(10-12-23)13-18(14-25)24(16-22)20(27)28-15-17-7-5-4-6-8-17/h4-8,18,25H,9-16H2,1-3H3
InChIKey
CLKBRXCPWVLHTE-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
108.3
TPSA
79.31
LogP / Solubility
WLOGP
3.41
MLOGP
3.02
XLogP3
2.6
Consensus LogP
3.01
Log S (ESOL)
-4.45
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.34
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.48
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
Yes
Log Kp (skin permeation)
-2.77
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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