CAS RN: 808762-63-2
4-((4-bromo-2-fluorophenyl)amino)-7-methoxyquinazolin-6-ol
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.20250815 | 250mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS808762-63-2
- Purity/Analytical Methods: >99.0%
808762-63-2 / 4-(4-bromo-2-fluoroanilino)-7-methoxyquinazolin-6-ol
Basic Information
CAS
808762-63-2
Multi CAS
No
Molecular Formula
BC15H11N3O2Rf
Molecular Weight
364.170000
Exact Mass
363.001870
InChI
InChI=1S/C15H11BrFN3O2/c1-22-14-6-12-9(5-13(14)21)15(19-7-18-12)20-11-3-2-8(16)4-10(11)17/h2-7,21H,1H3,(H,18,19,20)
InChIKey
INAHBERNJXYRAU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
16
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
85.14
TPSA
67.27
LogP / Solubility
WLOGP
3.99
MLOGP
3.53
XLogP3
3.8
Consensus LogP
3.77
Log S (ESOL)
-4.95
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.43
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.7
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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