CAS RN: 194473-03-5
7-FLUORO-2-METHYL-3H-QUINAZOLIN-4-ONE
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.20251030 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS194473-03-5
- Purity/Analytical Methods: >99.0%
194473-03-5 / 7-fluoro-2-methyl-3H-quinazolin-4-one
Basic Information
CAS
194473-03-5
Multi CAS
No
Molecular Formula
C9H7FN2O
Molecular Weight
178.160000
Exact Mass
178.054241
SMILES
CC1=NC2=C(C=CC(=C2)F)C(=O)N1
InChI
InChI=1S/C9H7FN2O/c1-5-11-8-4-6(10)2-3-7(8)9(13)12-5/h2-4H,1H3,(H,11,12,13)
InChIKey
BLFIAQNYLCTAMP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.11
H-bond acceptors
2
H-bond donors
1
Molar refractivity
47.06
TPSA
45.75
LogP / Solubility
WLOGP
1.37
MLOGP
1.2
XLogP3
0.8
Consensus LogP
1.12
Log S (ESOL)
-2.38
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.01
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.96
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.83
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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