CAS RN: 431942-62-0
2-(benzyloxy)-3-fluoro-5-(trifluoromethyl)pyridine
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.20250103 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS431942-62-0
- Purity/Analytical Methods: >99.0%
431942-62-0 / 3-fluoro-2-phenylmethoxy-5-(trifluoromethyl)pyridine
Basic Information
CAS
431942-62-0
Multi CAS
No
Molecular Formula
C13F4H9NO
Molecular Weight
271.210000
Exact Mass
271.062027
InChI
InChI=1S/C13H9F4NO/c14-11-6-10(13(15,16)17)7-18-12(11)19-8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKey
BCXOUHGEXDQDGS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.15
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
59.97
TPSA
22.12
LogP / Solubility
WLOGP
3.82
MLOGP
3.37
XLogP3
3.6
Consensus LogP
3.6
Log S (ESOL)
-4.2
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.54
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.95
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.66
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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