CAS RN: 2089311-03-3
5-Bromo-4-chloro-2-(trifluoromethyl)quinazoline
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20251117 | 100mg | Out of stock | Inquiry |
- Product code: starshine_CAS2089311-03-3
- Purity/Analytical Methods: >99.0%
2089311-03-3 / 5-bromo-4-chloro-2-(trifluoromethyl)quinazoline
Basic Information
CAS
2089311-03-3
Multi CAS
No
Molecular Formula
C9H3BrClF3N2
Molecular Weight
311.480000
Exact Mass
309.912020
SMILES
C1=CC2=C(C(=C1)Br)C(=NC(=N2)C(F)(F)F)Cl
InChI
InChI=1S/C9H3BrClF3N2/c10-4-2-1-3-5-6(4)7(11)16-8(15-5)9(12,13)14/h1-3H
InChIKey
QZIYBKKSACUFIZ-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
57.25
TPSA
25.78
LogP / Solubility
WLOGP
4.06
MLOGP
3.59
XLogP3
4.1
Consensus LogP
3.92
Log S (ESOL)
-4.79
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.05
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.06
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.73
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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