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CAS 1206972-70-4 IMidazo[1,2-a]pyridine-3-carboxylic acid, 5-fluoro-, Methyl ester molecular structure lightbox
CAS RN: 1206972-70-4

IMidazo[1,2-a]pyridine-3-carboxylic acid, 5-fluoro-, Methyl ester

  • Product code: SSC-021806
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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 1206972-70-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1206972-70-4 / methyl 5-fluoroimidazo[1,2-a]pyridine-3-carboxylate

Methyl 5-fluoroimidazo[1,2-a]pyridine-3-carboxylate | IMidazo[1,2-a]pyridine-3-carboxylic acid, 5-fluoro-, Methyl ester | METHYL?5-FLUOROIMIDAZO[1,2-A]PYRIDINE-3-CARBOXYLATE

Standard CAS: 1206972-70-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1206972-70-4
Multi CAS
No
Molecular Formula
C9H7FN2O2
Molecular Weight
194.160000
Exact Mass
194.049156
SMILES
COC(=O)C1=CN=C2N1C(=CC=C2)F
InChI
InChI=1S/C9H7FN2O2/c1-14-9(13)6-5-11-8-4-2-3-7(10)12(6)8/h2-5H,1H3
InChIKey
QAQQOIYOYLYQSM-UHFFFAOYSA-N
Synonyms
Methyl 5-fluoroimidazo[1,2-a]pyridine-3-carboxylate IMidazo[1,2-a]pyridine-3-carboxylic acid, 5-fluoro-, Methyl ester METHYL?5-FLUOROIMIDAZO[1,2-A]PYRIDINE-3-CARBOXYLATE MFCD22550611 SY373925

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
46.49
TPSA
43.6

LogP / Solubility

WLOGP
1.26
MLOGP
1.11
XLogP3
2.4
Consensus LogP
1.59
Log S (ESOL)
-2.25
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.06
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.09
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.01

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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