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CAS 14714-18-2 6-Chloro-2-methylimidazo[1,2-b]pyridazine-3-carboxylic acid ethyl ester molecular structure lightbox
CAS RN: 14714-18-2

6-Chloro-2-methylimidazo[1,2-b]pyridazine-3-carboxylic acid ethyl ester

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250413 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS14714-18-2
  • Purity/Analytical Methods: >99.0%
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14714-18-2 / ethyl 6-chloro-2-methylimidazo[1,2-b]pyridazine-3-carboxylate

Standard CAS: 14714-18-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
14714-18-2
Multi CAS
No
Molecular Formula
C10H10ClN3O2
Molecular Weight
239.660000
Exact Mass
239.046154
SMILES
CCOC(=O)C1=C(N=C2N1N=C(C=C2)Cl)C
InChI
InChI=1S/C10H10ClN3O2/c1-3-16-10(15)9-6(2)12-8-5-4-7(11)13-14(8)9/h4-5H,3H2,1-2H3
InChIKey
OJHHQMWNFHWAFR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
58.69
TPSA
56.49

LogP / Solubility

WLOGP
1.87
MLOGP
1.65
XLogP3
2.2
Consensus LogP
1.91
Log S (ESOL)
-2.79
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.01
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)
-2.86

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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