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CAS 957062-83-8 Ethyl 1-(ethoxymethyl)-1H-imidazole-4-carboxylate molecular structure lightbox
CAS RN: 957062-83-8

Ethyl 1-(ethoxymethyl)-1H-imidazole-4-carboxylate

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250821 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS957062-83-8
  • Purity/Analytical Methods: >99.0%
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957062-83-8 / ethyl 1-(ethoxymethyl)imidazole-4-carboxylate

Standard CAS: 957062-83-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
957062-83-8
Multi CAS
No
Molecular Formula
C9H14N2O3
Molecular Weight
198.220000
Exact Mass
198.100442
InChI
InChI=1S/C9H14N2O3/c1-3-13-7-11-5-8(10-6-11)9(12)14-4-2/h5-6H,3-4,7H2,1-2H3
InChIKey
DNGLXMVZHDGPRW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.56
Rotatable bonds
5
H-bond acceptors
5
Molar refractivity
49.81
TPSA
53.35

LogP / Solubility

WLOGP
1.05
MLOGP
0.93
XLogP3
0.8
Consensus LogP
0.93
Log S (ESOL)
-1.67
Class (ESOL)
Soluble
Log S (Ali)
-1.95
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.42
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)
-3.18

Drug-likeness / Medicinal Chemistry

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

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