CAS RN: 2472802-21-2
TFMAQ-8Ph
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.20250224 | 2mg | Out of stock | 15 business days | Inquiry |
- Product code: ICTT3935
- Purity/Analytical Methods: >95.0%(HPLC)
2472802-21-2 / N,8-diphenyl-2,4-bis(trifluoromethyl)quinolin-7-amine
Basic Information
CAS
2472802-21-2
Multi CAS
No
Molecular Formula
C23H14F6N2
Molecular Weight
432.400000
Exact Mass
432.106117
SMILES
C1=CC=C(C=C1)C2=C(C=CC3=C2N=C(C=C3C(F)(F)F)C(F)(F)F)NC4=CC=CC=C4
InChI
InChI=1S/C23H14F6N2/c24-22(25,26)17-13-19(23(27,28)29)31-21-16(17)11-12-18(30-15-9-5-2-6-10-15)20(21)14-7-3-1-4-8-14/h1-13,30H
InChIKey
CTHKNXUZQSDMKQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
22
Fraction Csp3
0.09
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
106.91
TPSA
24.92
LogP / Solubility
WLOGP
7.68
MLOGP
6.79
XLogP3
7.2
Consensus LogP
7.22
Log S (ESOL)
-7.69
Class (ESOL)
Insoluble
Log S (Ali)
-8.65
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.21
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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