CAS RN: 179688-03-0
7-ACETOXY-4-CHLORO-6-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.20250419 | 250mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS179688-03-0
- Purity/Analytical Methods: >99.0%
179688-03-0 / (4-chloro-6-methoxyquinazolin-7-yl) acetate
Basic Information
CAS
179688-03-0
Multi CAS
No
Molecular Formula
C11H9ClN2O3
Molecular Weight
252.650000
Exact Mass
252.030170
SMILES
CC(=O)OC1=C(C=C2C(=C1)N=CN=C2Cl)OC
InChI
InChI=1S/C11H9ClN2O3/c1-6(15)17-10-4-8-7(3-9(10)16-2)11(12)14-5-13-8/h3-5H,1-2H3
InChIKey
SDLKYGFWIOTIHR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
10
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
62.41
TPSA
61.31
LogP / Solubility
WLOGP
2.22
MLOGP
1.96
XLogP3
2.2
Consensus LogP
2.13
Log S (ESOL)
-3.11
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.23
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.38
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)
-2.69
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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