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CAS 1355171-40-2 Ethyl 3-bromo-8-(trifluoromethyl)imidazo-[1,2-a]pyridine-2-carboxylate molecular structure lightbox
CAS RN: 1355171-40-2

Ethyl 3-bromo-8-(trifluoromethyl)imidazo-[1,2-a]pyridine-2-carboxylate

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250401 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1355171-40-2
  • Purity/Analytical Methods: >99.0%
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1355171-40-2 / ethyl 3-bromo-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate

Standard CAS: 1355171-40-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1355171-40-2
Multi CAS
No
Molecular Formula
C11H8BrF3N2O2
Molecular Weight
337.090000
Exact Mass
335.972120
SMILES
CCOC(=O)C1=C(N2C=CC=C(C2=N1)C(F)(F)F)Br
InChI
InChI=1S/C11H8BrF3N2O2/c1-2-19-10(18)7-8(12)17-5-3-4-6(9(17)16-7)11(13,14)15/h3-5H,2H2,1H3
InChIKey
HAEJSSJERPCGGW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
9
Fraction Csp3
0.27
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
63.85
TPSA
43.6

LogP / Solubility

WLOGP
3.29
MLOGP
2.91
XLogP3
4.2
Consensus LogP
3.47
Log S (ESOL)
-4.22
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.7
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.82
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.44

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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