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CAS 1420623-75-1 Ethyl iMidazo[1,2-b]pyridazine-3-carboxylic ester molecular structure lightbox
CAS RN: 1420623-75-1

Ethyl iMidazo[1,2-b]pyridazine-3-carboxylic ester

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251017 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS1420623-75-1
  • Purity/Analytical Methods: >99.0%
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1420623-75-1 / ethyl imidazo[1,2-b]pyridazine-3-carboxylate

Standard CAS: 1420623-75-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1420623-75-1
Multi CAS
No
Molecular Formula
C9H9N3O2
Molecular Weight
191.190000
Exact Mass
191.069477
SMILES
CCOC(=O)C1=CN=C2N1N=CC=C2
InChI
InChI=1S/C9H9N3O2/c1-2-14-9(13)7-6-10-8-4-3-5-11-12(7)8/h3-6H,2H2,1H3
InChIKey
VXKOJJIHJFBXSC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
48.94
TPSA
56.49

LogP / Solubility

WLOGP
0.91
MLOGP
0.8
XLogP3
0.9
Consensus LogP
0.87
Log S (ESOL)
-1.94
Class (ESOL)
Soluble
Log S (Ali)
-1.78
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.89
Class (SILICOS-IT)
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)
-3.24

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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