CAS RN: 252959-76-5
1,8-Naphthyridine-3-carboxylicacid,2-(trifluoromethyl)-,ethylester(9CI)
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250803 | 100mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan | Inquiry |
| Batchno.20251013 | 1g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250824 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20251204 | 5g | In stock | Shenzhen, Tianjin | Inquiry |
- Product code: starshine_CAS252959-76-5
- Purity/Analytical Methods: >99.0%
252959-76-5 / ethyl 2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
Basic Information
CAS
252959-76-5
Multi CAS
No
Molecular Formula
C12H9F3N2O2
Molecular Weight
270.210000
Exact Mass
270.061612
SMILES
CCOC(=O)C1=C(N=C2C(=C1)C=CC=N2)C(F)(F)F
InChI
InChI=1S/C12H9F3N2O2/c1-2-19-11(18)8-6-7-4-3-5-16-10(7)17-9(8)12(13,14)15/h3-6H,2H2,1H3
InChIKey
XKMRJSFJQOOMKF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
10
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
60.5
TPSA
52.08
LogP / Solubility
WLOGP
2.83
MLOGP
2.49
XLogP3
2.6
Consensus LogP
2.64
Log S (ESOL)
-3.55
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.82
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4
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)
-2.36
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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