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CAS 1823188-42-6 8-Chloro-6-trifluoromethyl-imidazo[1,2-a]pyridine-3-carboxylic acid molecular structure lightbox
CAS RN: 1823188-42-6

8-Chloro-6-trifluoromethyl-imidazo[1,2-a]pyridine-3-carboxylic acid

  • Product code: SSC-083468
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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: 1g
  • 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 1823188-42-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1823188-42-6 / 8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid

Standard CAS: 1823188-42-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1823188-42-6
Multi CAS
No
Molecular Formula
C9H4ClF3N2O2
Molecular Weight
264.590000
Exact Mass
263.991340
SMILES
C1=C(C2=NC=C(N2C=C1C(F)(F)F)C(=O)O)Cl
InChI
InChI=1S/C9H4ClF3N2O2/c10-5-1-4(9(11,12)13)3-15-6(8(16)17)2-14-7(5)15/h1-3H,(H,16,17)
InChIKey
XAXCHISMSFVBBE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
52.16
TPSA
54.6

LogP / Solubility

WLOGP
2.7
MLOGP
2.39
XLogP3
3.1
Consensus LogP
2.73
Log S (ESOL)
-3.51
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.68
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.74
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)
-2.41

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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