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CAS 193743-93-0 6-CHLORO-IMIDAZO[1,2-B]PYRIDAZINE-2-CARBOXAMIDE molecular structure lightbox
CAS RN: 193743-93-0

6-CHLORO-IMIDAZO[1,2-B]PYRIDAZINE-2-CARBOXAMIDE

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Batchno.20260107 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS193743-93-0
  • Purity/Analytical Methods: >99.0%
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193743-93-0 / 6-chloroimidazo[1,2-b]pyridazine-2-carboxamide

Standard CAS: 193743-93-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
193743-93-0
Multi CAS
No
Molecular Formula
C7H5ClN4O
Molecular Weight
196.590000
Exact Mass
196.015189
SMILES
C1=CC(=NN2C1=NC(=C2)C(=O)N)Cl
InChI
InChI=1S/C7H5ClN4O/c8-5-1-2-6-10-4(7(9)13)3-12(6)11-5/h1-3H,(H2,9,13)
InChIKey
AVLCAHUPVLOODT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
46.51
TPSA
73.28

LogP / Solubility

WLOGP
0.48
MLOGP
0.42
XLogP3
0.5
Consensus LogP
0.47
Log S (ESOL)
-1.81
Class (ESOL)
Soluble
Log S (Ali)
-1.52
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.46
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)
-3.58

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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