CAS RN: 1258652-66-2
8-(Trifluoromethyl)quinazolin-2-amine
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.20250617 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1258652-66-2
- Purity/Analytical Methods: >99.0%
1258652-66-2 / 8-(trifluoromethyl)quinazolin-2-amine
Basic Information
CAS
1258652-66-2
Multi CAS
No
Molecular Formula
C9H6F3N3
Molecular Weight
213.160000
Exact Mass
213.051382
SMILES
C1=CC2=CN=C(N=C2C(=C1)C(F)(F)F)N
InChI
InChI=1S/C9H6F3N3/c10-9(11,12)6-3-1-2-5-4-14-8(13)15-7(5)6/h1-4H,(H2,13,14,15)
InChIKey
HIFPMNPSTKBBQI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.11
H-bond acceptors
3
H-bond donors
1
Molar refractivity
48.95
TPSA
51.8
LogP / Solubility
WLOGP
2.23
MLOGP
1.96
XLogP3
2.1
Consensus LogP
2.1
Log S (ESOL)
-3.06
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.92
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.9
Class (SILICOS-IT)
Moderately 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)
-2.44
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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