[email protected]
CAS 175277-01-7 2-(4-CYANOPHENOXY)-5-(TRIFLUOROMETHYL)PYRIDINE molecular structure lightbox
CAS RN: 175277-01-7

2-(4-CYANOPHENOXY)-5-(TRIFLUOROMETHYL)PYRIDINE

Product Availability

Choose a grade to view its available package options.

3 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250918 10g Out of stock Inquiry
Batchno.20251225 25g Out of stock Inquiry
Batchno.20250913 5g Out of stock Inquiry
  • Product code: starshine_CAS175277-01-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

175277-01-7 / 4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzonitrile

Standard CAS: 175277-01-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
175277-01-7
Multi CAS
No
Molecular Formula
C13H7F3N2O
Molecular Weight
264.200000
Exact Mass
264.051047
SMILES
C1=CC(=CC=C1C#N)OC2=NC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C13H7F3N2O/c14-13(15,16)10-3-6-12(18-8-10)19-11-4-1-9(7-17)2-5-11/h1-6,8H
InChIKey
IPRJCIVGKWLASQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
60.47
TPSA
45.91

LogP / Solubility

WLOGP
3.76
MLOGP
3.32
XLogP3
2.7
Consensus LogP
3.26
Log S (ESOL)
-4.19
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.44
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.74
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
Yes
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

Customers Also Viewed

Get In Touch

Contact Us