CAS RN: 20197-98-2
2-CHLORO-7-METHOXYQUINAZOLIN-4(3H)-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.20250809 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS20197-98-2
- Purity/Analytical Methods: >99.0%
20197-98-2 / 2-chloro-7-methoxy-3H-quinazolin-4-one
Basic Information
CAS
20197-98-2
Multi CAS
No
Molecular Formula
C9H7ClN2O2
Molecular Weight
210.620000
Exact Mass
210.019605
SMILES
COC1=CC2=C(C=C1)C(=O)NC(=N2)Cl
InChI
InChI=1S/C9H7ClN2O2/c1-14-5-2-3-6-7(4-5)11-9(10)12-8(6)13/h2-4H,1H3,(H,11,12,13)
InChIKey
GWKYECPVPJPSHI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
53.93
TPSA
54.98
LogP / Solubility
WLOGP
1.59
MLOGP
1.4
XLogP3
1.7
Consensus LogP
1.56
Log S (ESOL)
-2.61
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.43
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.46
Class (SILICOS-IT)
Moderately 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)
-2.88
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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