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CAS 24439-50-7 N-(2-Ethoxy-phenyl)-oxalamic acid ethyl ester molecular structure lightbox
CAS RN: 24439-50-7

N-(2-Ethoxy-phenyl)-oxalamic acid ethyl ester

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250422 1g / 5g / 50g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS24439-50-7
  • Purity/Analytical Methods: >99.0%
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24439-50-7 / ethyl 2-(2-ethoxyanilino)-2-oxoacetate

Standard CAS: 24439-50-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
24439-50-7
Multi CAS
No
Molecular Formula
C12H15NO4
Molecular Weight
237.250000
Exact Mass
237.100108
SMILES
CCOC1=CC=CC=C1NC(=O)C(=O)OCC
InChI
InChI=1S/C12H15NO4/c1-3-16-10-8-6-5-7-9(10)13-11(14)12(15)17-4-2/h5-8H,3-4H2,1-2H3,(H,13,14)
InChIKey
KYQHLNQTKJTCKZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
62.87
TPSA
64.63

LogP / Solubility

WLOGP
1.59
MLOGP
1.4
XLogP3
2.1
Consensus LogP
1.7
Log S (ESOL)
-2.31
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.65
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3
Class (SILICOS-IT)
Moderately 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)
-3.04

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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