CAS RN: 16499-63-1
4-Chloro-5-(trifluoromethyl)quinazoline
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260416 | 100mg | Out of stock | Inquiry |
- Product code: starshine_CAS16499-63-1
- Purity/Analytical Methods: >99.0%
16499-63-1 / 4-chloro-5-(trifluoromethyl)quinazoline
Basic Information
CAS
16499-63-1
Multi CAS
No
Molecular Formula
C9H4ClF3N2
Molecular Weight
232.590000
Exact Mass
232.001510
SMILES
C1=CC(=C2C(=C1)N=CN=C2Cl)C(F)(F)F
InChI
InChI=1S/C9H4ClF3N2/c10-8-7-5(9(11,12)13)2-1-3-6(7)14-4-15-8/h1-4H
InChIKey
SUEYSWZUHIYBDP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.11
H-bond acceptors
2
Molar refractivity
49.55
TPSA
25.78
LogP / Solubility
WLOGP
3.3
MLOGP
2.91
XLogP3
3.4
Consensus LogP
3.2
Log S (ESOL)
-3.86
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.85
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.91
Class (SILICOS-IT)
Poorly 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)
-1.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
![CAS 16502-01-5 1,2,3,4-TETRAHYDRO-9H-PYRIDO[3,4-B]INDOLE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/16502-01-5.gif)
![CAS 16502-08-2 5-BENZYL-[1,3,4]THIADIAZOL-2-YLAMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/16502-08-2.gif)
