CAS RN: 127094-71-7
2,5-Morpholinedione,3-methyl-,(3S)-(9CI)
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250814 | 50mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS127094-71-7
- Purity/Analytical Methods: >99.0%
127094-71-7 / (3S)-3-methylmorpholine-2,5-dione
Basic Information
CAS
127094-71-7
Multi CAS
No
Molecular Formula
C5H7NO3
Molecular Weight
129.110000
Exact Mass
129.042593
SMILES
C[C@H]1C(=O)OCC(=O)N1
InChI
InChI=1S/C5H7NO3/c1-3-5(8)9-2-4(7)6-3/h3H,2H2,1H3,(H,6,7)/t3-/m0/s1
InChIKey
KNMQEWSKCAMAIM-VKHMYHEASA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
28.56
TPSA
55.4
LogP / Solubility
WLOGP
-0.95
MLOGP
-0.85
XLogP3
-0.3
Consensus LogP
-0.7
Log S (ESOL)
-0.04
Class (ESOL)
Very soluble
Log S (Ali)
0.07
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.29
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
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)
-4.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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