![CAS 1785761-67-2 ethyl 4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1785761-67-2.gif)
CAS RN: 1785761-67-2
ethyl 4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecane-9-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.20260401 | 500mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1785761-67-2
- Purity/Analytical Methods: >99.0%
1785761-67-2 / ethyl 4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate
Basic Information
CAS
1785761-67-2
Multi CAS
No
Molecular Formula
C13H23NO4
Molecular Weight
257.330000
Exact Mass
257.162708
SMILES
CCOC(=O)N1CCC2(CC1)CC(CCO2)(C)O
InChI
InChI=1S/C13H23NO4/c1-3-17-11(15)14-7-4-13(5-8-14)10-12(2,16)6-9-18-13/h16H,3-10H2,1-2H3
InChIKey
VISKNAYISXLWKR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.92
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
66.37
TPSA
59
LogP / Solubility
WLOGP
1.54
MLOGP
1.36
XLogP3
0.8
Consensus LogP
1.23
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.78
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.73
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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