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CAS 148858-09-7 Ethyl 4,5-dihydroimidazo[1,5-a]quinoxaline-3-carboxylate molecular structure lightbox
CAS RN: 148858-09-7

Ethyl 4,5-dihydroimidazo[1,5-a]quinoxaline-3-carboxylate

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250707 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS148858-09-7
  • Purity/Analytical Methods: >99.0%
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148858-09-7 / ethyl 4,5-dihydroimidazo[1,5-a]quinoxaline-3-carboxylate

Standard CAS: 148858-09-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
148858-09-7
Multi CAS
No
Molecular Formula
C13H13N3O2
Molecular Weight
243.260000
Exact Mass
243.100777
SMILES
CCOC(=O)C1=C2CNC3=CC=CC=C3N2C=N1
InChI
InChI=1S/C13H13N3O2/c1-2-18-13(17)12-11-7-14-9-5-3-4-6-10(9)16(11)8-15-12/h3-6,8,14H,2,7H2,1H3
InChIKey
GHXYLLFEPWDPLX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
11
Fraction Csp3
0.23
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
66.85
TPSA
56.15

LogP / Solubility

WLOGP
1.97
MLOGP
1.74
XLogP3
1.8
Consensus LogP
1.84
Log S (ESOL)
-2.91
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.98
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.12
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.8

Drug-likeness / Medicinal Chemistry

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

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