![CAS 1823417-67-9 Methyl 2-(((Benzyloxy)Carbonyl)Amino)-7-Oxo-6-Azaspiro[3.4]Octane-8-Carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1823417-67-9.gif)
CAS RN: 1823417-67-9
Methyl 2-(((Benzyloxy)Carbonyl)Amino)-7-Oxo-6-Azaspiro[3.4]Octane-8-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.20260629 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1823417-67-9
- Purity/Analytical Methods: >99.0%
1823417-67-9 / methyl 7-oxo-2-(phenylmethoxycarbonylamino)-6-azaspiro[3.4]octane-8-carboxylate
Basic Information
CAS
1823417-67-9
Multi CAS
No
Molecular Formula
C17H20N2O5
Molecular Weight
332.400000
Exact Mass
332.137222
SMILES
COC(=O)C1C(=O)NCC12CC(C2)NC(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C17H20N2O5/c1-23-15(21)13-14(20)18-10-17(13)7-12(8-17)19-16(22)24-9-11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3,(H,18,20)(H,19,22)
InChIKey
VVPNYIXFXJEITF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
83.73
TPSA
93.73
LogP / Solubility
WLOGP
0.98
MLOGP
0.88
XLogP3
1.3
Consensus LogP
1.05
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.99
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.11
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
4
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