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CAS 924-44-7 Ethyl Glyoxylate Polymer form (47% in Toluene) molecular structure lightbox
CAS RN: 924-44-7

Ethyl Glyoxylate Polymer form (47% in Toluene)

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  • Product code: ICTG0264
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924-44-7 / ethyl 2-oxoacetate

Standard CAS: 924-44-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
924-44-7
Multi CAS
Yes
Molecular Formula
C4H6O3
Molecular Weight
102.090000
Exact Mass
102.031694
InChI
InChI=1S/C4H6O3/c1-2-7-4(6)3-5/h3H,2H2,1H3
InChIKey
DBPFRRFGLYGEJI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
22.7
TPSA
43.37

LogP / Solubility

WLOGP
-0.25
MLOGP
-0.23
XLogP3
0.4
Consensus LogP
-0.03
Log S (ESOL)
-0.18
Class (ESOL)
Very soluble
Log S (Ali)
-0.22
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.35
Class (SILICOS-IT)
Very 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)
-3.52

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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