CAS RN: 886366-96-7
4-(4-FLUORO-PHENYL)-THIAZOLE-2-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.20250418 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS886366-96-7
- Purity/Analytical Methods: >99.0%
886366-96-7 / 4-(4-fluorophenyl)-1,3-thiazole-2-carboxylic acid
Basic Information
CAS
886366-96-7
Multi CAS
No
Molecular Formula
C10FH6NO2S
Molecular Weight
223.230000
Exact Mass
223.010328
InChI
InChI=1S/C10H6FNO2S/c11-7-3-1-6(2-4-7)8-5-15-9(12-8)10(13)14/h1-5H,(H,13,14)
InChIKey
ADTZSCPHZARMBS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
54.47
TPSA
50.19
LogP / Solubility
WLOGP
2.65
MLOGP
2.33
XLogP3
2.6
Consensus LogP
2.53
Log S (ESOL)
-3.3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.55
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)
-2.2
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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