CAS RN: 205584-69-6
4,6-Dichloro-7-methoxyquinazoline
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.20260225 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS205584-69-6
- Purity/Analytical Methods: >99.0%
205584-69-6 / 4,6-dichloro-7-methoxyquinazoline
Basic Information
CAS
205584-69-6
Multi CAS
No
Molecular Formula
C9H6Cl2N2O
Molecular Weight
229.060000
Exact Mass
227.985718
SMILES
COC1=C(C=C2C(=C1)N=CN=C2Cl)Cl
InChI
InChI=1S/C9H6Cl2N2O/c1-14-8-3-7-5(2-6(8)10)9(11)13-4-12-7/h2-4H,1H3
InChIKey
PHWAMXVPMNPOIU-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
Molar refractivity
56.11
TPSA
35.01
LogP / Solubility
WLOGP
2.95
MLOGP
2.6
XLogP3
3.1
Consensus LogP
2.88
Log S (ESOL)
-3.58
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.56
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.71
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.03
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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