CAS RN: 90197-99-2
dimethyl-N,N’-oxalamidodiethanoate
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.20250221 | 1mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS90197-99-2
- Purity/Analytical Methods: >99.0%
90197-99-2 / methyl 2-[[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoacetyl]amino]acetate
Basic Information
CAS
90197-99-2
Multi CAS
No
Molecular Formula
C8H12N2O6
Molecular Weight
232.190000
Exact Mass
232.069536
InChI
InChI=1S/C8H12N2O6/c1-15-5(11)3-9-7(13)8(14)10-4-6(12)16-2/h3-4H2,1-2H3,(H,9,13)(H,10,14)
InChIKey
YBJQRESBPICATB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
2
Molar refractivity
50.05
TPSA
110.8
LogP / Solubility
WLOGP
-2.44
MLOGP
-2.14
XLogP3
-0.9
Consensus LogP
-1.83
Log S (ESOL)
0.52
Class (ESOL)
Highly soluble
Log S (Ali)
0.29
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.37
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.87
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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