CAS RN: 883550-05-8
CHEMBRDG-BB 9054791
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.20251218 | 1g / 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS883550-05-8
- Purity/Analytical Methods: >99.0%
883550-05-8 / 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-oxobutanoic acid
Basic Information
CAS
883550-05-8
Multi CAS
No
Molecular Formula
C11H17NO5
Molecular Weight
243.260000
Exact Mass
243.110673
InChI
InChI=1S/C11H17NO5/c13-9(1-2-10(14)15)12-5-3-11(4-6-12)16-7-8-17-11/h1-8H2,(H,14,15)
InChIKey
FYXUSCGIWKLIIR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.82
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
57.32
TPSA
76.07
LogP / Solubility
WLOGP
0.22
MLOGP
0.2
XLogP3
-0.9
Consensus LogP
-0.16
Log S (ESOL)
-1.29
Class (ESOL)
Soluble
Log S (Ali)
-1.71
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.78
Class (SILICOS-IT)
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)
-4.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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