[email protected]
CAS 220000-88-4 4-(4-TRIFLUOROMETHYLPHENYL)PYRIDINE molecular structure lightbox
CAS RN: 220000-88-4

4-(4-TRIFLUOROMETHYLPHENYL)PYRIDINE

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260416 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS220000-88-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

220000-88-4 / 4-[4-(trifluoromethyl)phenyl]pyridine

Standard CAS: 220000-88-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
220000-88-4
Multi CAS
No
Molecular Formula
C12H8F3N
Molecular Weight
223.190000
Exact Mass
223.060884
SMILES
C1=CC(=CC=C1C2=CC=NC=C2)C(F)(F)F
InChI
InChI=1S/C12H8F3N/c13-12(14,15)11-3-1-9(2-4-11)10-5-7-16-8-6-10/h1-8H
InChIKey
XKLRYMRLOBCRPN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
54.68
TPSA
12.89

LogP / Solubility

WLOGP
3.77
MLOGP
3.32
XLogP3
3.5
Consensus LogP
3.53
Log S (ESOL)
-4.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.11
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.36
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)
-1.41

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