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CAS 1363404-84-5 Ethyl 8-(trifluoroMethyl)iMidazo[1,2-a]pyridine-2-carboxylate molecular structure lightbox
CAS RN: 1363404-84-5

Ethyl 8-(trifluoroMethyl)iMidazo[1,2-a]pyridine-2-carboxylate

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251218 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1363404-84-5
  • Purity/Analytical Methods: >99.0%
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1363404-84-5 / ethyl 8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate

Standard CAS: 1363404-84-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1363404-84-5
Multi CAS
No
Molecular Formula
C11H9F3N2O2
Molecular Weight
258.200000
Exact Mass
258.061612
SMILES
CCOC(=O)C1=CN2C=CC=C(C2=N1)C(F)(F)F
InChI
InChI=1S/C11H9F3N2O2/c1-2-18-10(17)8-6-16-5-3-4-7(9(16)15-8)11(12,13)14/h3-6H,2H2,1H3
InChIKey
WZLPRVSGJRYTIQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
9
Fraction Csp3
0.27
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
56.15
TPSA
43.6

LogP / Solubility

WLOGP
2.53
MLOGP
2.23
XLogP3
3.2
Consensus LogP
2.65
Log S (ESOL)
-3.27
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.5
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.68
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.5

Drug-likeness / Medicinal Chemistry

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

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