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CAS 1237838-84-4 6-Chloro-8-trifluoromethyl-imidazo[1,2-a]pyridine-2-carboxylic acid ethyl ester molecular structure lightbox
CAS RN: 1237838-84-4

6-Chloro-8-trifluoromethyl-imidazo[1,2-a]pyridine-2-carboxylic acid ethyl ester

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250210 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS1237838-84-4
  • Purity/Analytical Methods: >99.0%
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1237838-84-4 / ethyl 6-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate

Standard CAS: 1237838-84-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1237838-84-4
Multi CAS
No
Molecular Formula
C11H8ClF3N2O2
Molecular Weight
292.640000
Exact Mass
292.022640
SMILES
CCOC(=O)C1=CN2C=C(C=C(C2=N1)C(F)(F)F)Cl
InChI
InChI=1S/C11H8ClF3N2O2/c1-2-19-10(18)8-5-17-4-6(12)3-7(9(17)16-8)11(13,14)15/h3-5H,2H2,1H3
InChIKey
BXFNMQMFEVSNPS-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
61.16
TPSA
43.6

LogP / Solubility

WLOGP
3.18
MLOGP
2.81
XLogP3
3.8
Consensus LogP
3.26
Log S (ESOL)
-3.88
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.26
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.44
Class (SILICOS-IT)
Slightly 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)
-2.25

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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