CAS RN: 905306-07-2
4-((3-ethynylphenyl)amino)-7-methoxyquinazolin-6-yl acetate
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.20250903 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS905306-07-2
- Purity/Analytical Methods: >99.0%
905306-07-2 / [4-(3-ethynylanilino)-7-methoxyquinazolin-6-yl] acetate
Basic Information
CAS
905306-07-2
Multi CAS
No
Molecular Formula
C19H15N3O3
Molecular Weight
333.300000
Exact Mass
333.111341
InChI
InChI=1S/C19H15N3O3/c1-4-13-6-5-7-14(8-13)22-19-15-9-18(25-12(2)23)17(24-3)10-16(15)20-11-21-19/h1,5-11H,2-3H3,(H,20,21,22)
InChIKey
HOCGUSHWJYXDIL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
16
Fraction Csp3
0.11
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
1
Molar refractivity
95.06
TPSA
73.34
LogP / Solubility
WLOGP
3.29
MLOGP
2.91
XLogP3
3.4
Consensus LogP
3.2
Log S (ESOL)
-4.19
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.67
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.04
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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