CAS RN: 522646-43-1
5-(2-fluoro-phenyl)-2-Methyl-thiazole-4-carboxylic acid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250719 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS522646-43-1
- Purity/Analytical Methods: >99.0%
522646-43-1 / 5-(2-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxylic acid
Basic Information
CAS
522646-43-1
Multi CAS
Yes
Molecular Formula
C11FH8NO2S
Molecular Weight
237.250000
Exact Mass
237.025978
InChI
InChI=1S/C11H8FNO2S/c1-6-13-9(11(14)15)10(16-6)7-4-2-3-5-8(7)12/h2-5H,1H3,(H,14,15)
InChIKey
ODCOWPJBSKLCIC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
11
Fraction Csp3
0.09
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
59.2
TPSA
50.19
LogP / Solubility
WLOGP
2.96
MLOGP
2.61
XLogP3
3
Consensus LogP
2.86
Log S (ESOL)
-3.55
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.64
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.9
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)
-2.07
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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