CAS RN: 206190-25-2
6-iodo-7-Methoxyquinazolin-4(1H)-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.20250422 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS206190-25-2
- Purity/Analytical Methods: >99.0%
206190-25-2 / 6-iodo-7-methoxy-3H-quinazolin-4-one
Basic Information
CAS
206190-25-2
Multi CAS
No
Molecular Formula
C9H7IN2O2
Molecular Weight
302.070000
Exact Mass
301.955230
SMILES
COC1=C(C=C2C(=C1)N=CNC2=O)I
InChI
InChI=1S/C9H7IN2O2/c1-14-8-3-7-5(2-6(8)10)9(13)12-4-11-7/h2-4H,1H3,(H,11,12,13)
InChIKey
FVHAXLFSGSMQSE-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
61.63
TPSA
54.98
LogP / Solubility
WLOGP
1.54
MLOGP
1.36
XLogP3
1.3
Consensus LogP
1.4
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.15
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.02
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)
-3.47
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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