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CAS 73221-19-9 2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid molecular structure lightbox
CAS RN: 73221-19-9

2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid

  • Product code: SSC-182689
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 73221-19-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

73221-19-9 / 2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid

Standard CAS: 73221-19-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
73221-19-9
Multi CAS
No
Molecular Formula
C9F3H5N2O2
Molecular Weight
230.140000
Exact Mass
230.030312
InChI
InChI=1S/C9H5F3N2O2/c10-9(11,12)7-6(8(15)16)14-4-2-1-3-5(14)13-7/h1-4H,(H,15,16)
InChIKey
WJFKWYWCMPJWQD-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
2.5
Consensus LogP
2.12
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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