![CAS 528594-63-0 1,4-Dioxa-7-azaspiro[4.5]decane-7-carboxylic acid, phenylMethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/528594-63-0.gif)
CAS RN: 528594-63-0
1,4-Dioxa-7-azaspiro[4.5]decane-7-carboxylic acid, phenylMethyl ester
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.20250306 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS528594-63-0
- Purity/Analytical Methods: >99.0%
528594-63-0 / benzyl 1,4-dioxa-9-azaspiro[4.5]decane-9-carboxylate
Basic Information
CAS
528594-63-0
Multi CAS
No
Molecular Formula
C15H19NO4
Molecular Weight
277.310000
Exact Mass
277.131408
InChI
InChI=1S/C15H19NO4/c17-14(18-11-13-5-2-1-3-6-13)16-8-4-7-15(12-16)19-9-10-20-15/h1-3,5-6H,4,7-12H2
InChIKey
YQKVAGMIRIPXJO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
72.07
TPSA
48
LogP / Solubility
WLOGP
2.16
MLOGP
1.91
XLogP3
1.6
Consensus LogP
1.89
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.4
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.5
Class (SILICOS-IT)
Poorly 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)
-2.88
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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