CAS RN: 959238-18-7
4-Chloro-8-fluoro-2-(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 | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250227 | 25mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS959238-18-7
- Purity/Analytical Methods: >99.0%
959238-18-7 / 4-chloro-8-fluoro-2-(trifluoromethyl)quinazoline
Basic Information
CAS
959238-18-7
Multi CAS
No
Molecular Formula
C9H3CLF4N2
Molecular Weight
250.580000
Exact Mass
249.992088
InChI
InChI=1S/C9H3ClF4N2/c10-7-4-2-1-3-5(11)6(4)15-8(16-7)9(12,13)14/h1-3H
InChIKey
UUHMCYYJRVPENY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.11
H-bond acceptors
2
Molar refractivity
49.51
TPSA
25.78
LogP / Solubility
WLOGP
3.44
MLOGP
3.03
XLogP3
3.5
Consensus LogP
3.32
Log S (ESOL)
-4.02
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.1
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.14
Class (SILICOS-IT)
Slightly 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)
-1.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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