CAS RN: 1702815-70-0
2,4,8-Trichloro-6-fluoroquinazoline
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.20260421 | 50mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1702815-70-0
- Purity/Analytical Methods: >99.0%
1702815-70-0 / 2,4,8-trichloro-6-fluoroquinazoline
Basic Information
CAS
1702815-70-0
Multi CAS
No
Molecular Formula
C8H2Cl3FN2
Molecular Weight
251.500000
Exact Mass
249.926759
SMILES
C1=C(C=C(C2=C1C(=NC(=N2)Cl)Cl)Cl)F
InChI
InChI=1S/C8H2Cl3FN2/c9-5-2-3(12)1-4-6(5)13-8(11)14-7(4)10/h1-2H
InChIKey
VCXPSTHBMYWYNJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
H-bond acceptors
2
Molar refractivity
54.53
TPSA
25.78
LogP / Solubility
WLOGP
3.73
MLOGP
3.29
XLogP3
4.2
Consensus LogP
3.74
Log S (ESOL)
-4.28
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.31
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.39
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.61
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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