![CAS 286371-71-9 4-[(6,7-diMethoxy-4-quinazolinyl)oxy]aniline molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/286371-71-9.png)
CAS RN: 286371-71-9
4-[(6,7-diMethoxy-4-quinazolinyl)oxy]aniline
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.20250801 | 500mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS286371-71-9
- Purity/Analytical Methods: >99.0%
286371-71-9 / 4-(6,7-dimethoxyquinazolin-4-yl)oxyaniline
Basic Information
CAS
286371-71-9
Multi CAS
No
Molecular Formula
C16H15N3O3
Molecular Weight
297.310000
Exact Mass
297.111341
InChI
InChI=1S/C16H15N3O3/c1-20-14-7-12-13(8-15(14)21-2)18-9-19-16(12)22-11-5-3-10(17)4-6-11/h3-9H,17H2,1-2H3
InChIKey
ZLVVYBNEDMWIRX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
16
Fraction Csp3
0.12
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
1
Molar refractivity
83.57
TPSA
79.49
LogP / Solubility
WLOGP
3.02
MLOGP
2.67
XLogP3
2.7
Consensus LogP
2.8
Log S (ESOL)
-3.86
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.58
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.39
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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