![CAS 1823417-97-5 5-Benzyl 2-Tert-Butyl 8-(Hydroxymethyl)-2,5-Diazaspiro[3.5]Nonane-2,5-Dicarboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1823417-97-5.gif)
CAS RN: 1823417-97-5
5-Benzyl 2-Tert-Butyl 8-(Hydroxymethyl)-2,5-Diazaspiro[3.5]Nonane-2,5-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.20250213 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1823417-97-5
- Purity/Analytical Methods: >99.0%
1823417-97-5 / 5-O-benzyl 2-O-tert-butyl 8-(hydroxymethyl)-2,5-diazaspiro[3.5]nonane-2,5-dicarboxylate
Basic Information
CAS
1823417-97-5
Multi CAS
No
Molecular Formula
C21H30N2O5
Molecular Weight
390.500000
Exact Mass
390.215472
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CC(CCN2C(=O)OCC3=CC=CC=C3)CO
InChI
InChI=1S/C21H30N2O5/c1-20(2,3)28-18(25)22-14-21(15-22)11-17(12-24)9-10-23(21)19(26)27-13-16-7-5-4-6-8-16/h4-8,17,24H,9-15H2,1-3H3
InChIKey
HJXKZFGSFOGCPG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
103.68
TPSA
79.31
LogP / Solubility
WLOGP
3.02
MLOGP
2.68
XLogP3
2.2
Consensus LogP
2.63
Log S (ESOL)
-4.12
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.94
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.06
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)
-2.96
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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