CAS RN: 2002472-85-5
8-(trifluoromethoxy)quinoline-3-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.20251122 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-094267
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.25g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
2002472-85-5 / 8-(trifluoromethoxy)quinoline-3-carboxylic acid
Basic Information
CAS
2002472-85-5
Multi CAS
No
Molecular Formula
C11H6F3NO3
Molecular Weight
257.160000
Exact Mass
257.029978
SMILES
C1=CC2=CC(=CN=C2C(=C1)OC(F)(F)F)C(=O)O
InChI
InChI=1S/C11H6F3NO3/c12-11(13,14)18-8-3-1-2-6-4-7(10(16)17)5-15-9(6)8/h1-5H,(H,16,17)
InChIKey
YZSIICIBPMSVAD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
10
Fraction Csp3
0.09
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
55.39
TPSA
59.42
LogP / Solubility
WLOGP
2.83
MLOGP
2.5
XLogP3
2.9
Consensus LogP
2.74
Log S (ESOL)
-3.5
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.71
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.92
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)
-2.28
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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