![CAS 849924-90-9 7-FLUORO-BENZO[D]IMIDAZO[2,1-B]THIAZOLE-2-CARBOXYLIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/849924-90-9.gif)
CAS RN: 849924-90-9
7-FLUORO-BENZO[D]IMIDAZO[2,1-B]THIAZOLE-2-CARBOXYLIC ACID
Product Availability
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3 package records2 with current stock2 grade groups
- Product code: starshine_CAS849924-90-9
- Purity/Analytical Methods: >99.0%
849924-90-9 / 6-fluoroimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid
Basic Information
CAS
849924-90-9
Multi CAS
Yes
Molecular Formula
C10FH5N2O2S
Molecular Weight
236.220000
Exact Mass
236.005577
InChI
InChI=1S/C10H5FN2O2S.H2O/c11-5-1-2-7-8(3-5)16-10-12-6(9(14)15)4-13(7)10;/h1-4H,(H,14,15);1H2
InChIKey
GELMDQDZZRDPOL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
57.49
TPSA
54.6
LogP / Solubility
WLOGP
2.39
MLOGP
2.1
XLogP3
3.2
Consensus LogP
2.56
Log S (ESOL)
-3.3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.22
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.3
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)
-2.47
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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