CAS RN: 75235-35-7
(Ethylamino)(oxo)acetic acid
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.20260326 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS75235-35-7
- Purity/Analytical Methods: >99.0%
75235-35-7 / 2-(ethylamino)-2-oxoacetic acid
Basic Information
CAS
75235-35-7
Multi CAS
No
Molecular Formula
C4H7NO3
Molecular Weight
117.100000
Exact Mass
117.042593
InChI
InChI=1S/C4H7NO3/c1-2-5-3(6)4(7)8/h2H2,1H3,(H,5,6)(H,7,8)
InChIKey
DXRIITVFSTUKPW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
26.32
TPSA
66.4
LogP / Solubility
WLOGP
-0.79
MLOGP
-0.71
XLogP3
-0.1
Consensus LogP
-0.53
Class (ESOL)
Very soluble
Log S (Ali)
0.05
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.12
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
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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