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CAS 912770-16-2 6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylic acid molecular structure lightbox
CAS RN: 912770-16-2

6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylic acid

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260409 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS912770-16-2
  • Purity/Analytical Methods: >99.0%
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912770-16-2 / 6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylic acid

Standard CAS: 912770-16-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
912770-16-2
Multi CAS
No
Molecular Formula
C12FH7N2O2S
Molecular Weight
262.260000
Exact Mass
262.021227
InChI
InChI=1S/C12H7FN2O2S/c13-8-4-2-1-3-7(8)9-5-15-10(11(16)17)6-18-12(15)14-9/h1-6H,(H,16,17)
InChIKey
SMOZVQMFVRHMCY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
14
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
65.42
TPSA
54.6

LogP / Solubility

WLOGP
2.9
MLOGP
2.56
XLogP3
3.5
Consensus LogP
2.99
Log S (ESOL)
-3.74
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.8
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.01
Class (SILICOS-IT)
Slightly 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)
-2.26

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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