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CAS 73221-20-2 2-(Trifluoromethyl)imidazo[1,2-a]pyridine-8-carboxylic acid molecular structure lightbox
CAS RN: 73221-20-2

2-(Trifluoromethyl)imidazo[1,2-a]pyridine-8-carboxylic acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250727 25mg / 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS73221-20-2
  • Purity/Analytical Methods: >99.0%
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73221-20-2 / 2-(trifluoromethyl)imidazo[1,2-a]pyridine-8-carboxylic acid

Standard CAS: 73221-20-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
73221-20-2
Multi CAS
No
Molecular Formula
C9F3H5N2O2
Molecular Weight
230.140000
Exact Mass
230.030312
InChI
InChI=1S/C9H5F3N2O2/c10-9(11,12)6-4-14-3-1-2-5(8(15)16)7(14)13-6/h1-4H,(H,15,16)
InChIKey
LSCPGFRSWFYTPL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
47.15
TPSA
54.6

LogP / Solubility

WLOGP
2.05
MLOGP
1.81
XLogP3
2.2
Consensus LogP
2.02
Log S (ESOL)
-2.91
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.98
Class (SILICOS-IT)
Moderately 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)
-2.67

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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