CAS RN: 1404365-01-0
4-chloro-8-fluoro-2-Methyl-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.20250913 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1404365-01-0
- Purity/Analytical Methods: >99.0%
1404365-01-0 / 4-chloro-8-fluoro-2-methylquinazoline
Basic Information
CAS
1404365-01-0
Multi CAS
No
Molecular Formula
C9H6ClFN2
Molecular Weight
196.610000
Exact Mass
196.020354
SMILES
CC1=NC2=C(C=CC=C2F)C(=N1)Cl
InChI
InChI=1S/C9H6ClFN2/c1-5-12-8-6(9(10)13-5)3-2-4-7(8)11/h2-4H,1H3
InChIKey
APZMSPYRLLNIHE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.11
H-bond acceptors
2
Molar refractivity
49.24
TPSA
25.78
LogP / Solubility
WLOGP
2.73
MLOGP
2.4
XLogP3
3
Consensus LogP
2.71
Log S (ESOL)
-3.35
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.14
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.2
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.98
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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