![CAS 1785764-72-8 ethyl 4-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1785764-72-8.gif)
CAS RN: 1785764-72-8
ethyl 4-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251112 | 1g / 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1785764-72-8
- Purity/Analytical Methods: >99.0%
1785764-72-8 / ethyl 4-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate
Basic Information
CAS
1785764-72-8
Multi CAS
No
Molecular Formula
C12H21NO4
Molecular Weight
243.300000
Exact Mass
243.147058
SMILES
CCOC(=O)N1CCC2(CC1)CC(CCO2)O
InChI
InChI=1S/C12H21NO4/c1-2-16-11(15)13-6-4-12(5-7-13)9-10(14)3-8-17-12/h10,14H,2-9H2,1H3
InChIKey
JOKSSXNTQRMOQA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.92
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
61.75
TPSA
59
LogP / Solubility
WLOGP
1.15
MLOGP
1.02
XLogP3
0.6
Consensus LogP
0.92
Log S (ESOL)
-2.01
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.38
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.31
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.39
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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