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CAS 1352394-95-6 5-Fluoro-iMidazo[1,2-a]pyridine-2-carboxylic acid ethyl ester molecular structure lightbox
CAS RN: 1352394-95-6

5-Fluoro-iMidazo[1,2-a]pyridine-2-carboxylic acid ethyl ester

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260321 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1352394-95-6
  • Purity/Analytical Methods: >99.0%
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1352394-95-6 / ethyl 5-fluoroimidazo[1,2-a]pyridine-2-carboxylate

Standard CAS: 1352394-95-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1352394-95-6
Multi CAS
No
Molecular Formula
C10H9FN2O2
Molecular Weight
208.190000
Exact Mass
208.064806
SMILES
CCOC(=O)C1=CN2C(=N1)C=CC=C2F
InChI
InChI=1S/C10H9FN2O2/c1-2-15-10(14)7-6-13-8(11)4-3-5-9(13)12-7/h3-6H,2H2,1H3
InChIKey
VBCSGPPEJWWULH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
51.11
TPSA
43.6

LogP / Solubility

WLOGP
1.65
MLOGP
1.45
XLogP3
2.7
Consensus LogP
1.93
Log S (ESOL)
-2.48
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.46
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.62
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.82

Drug-likeness / Medicinal Chemistry

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

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