![CAS 944549-41-1 6-Bromo-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]quinazolin-4-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/944549-41-1.gif)
CAS RN: 944549-41-1
6-Bromo-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]quinazolin-4-amine
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.20260109 | 250mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS944549-41-1
- Purity/Analytical Methods: >99.0%
944549-41-1 / 6-bromo-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]quinazolin-4-amine
Basic Information
CAS
944549-41-1
Multi CAS
No
Molecular Formula
C21H14BRCLFN3O
Molecular Weight
458.700000
Exact Mass
456.999280
InChI
InChI=1S/C21H14BrClFN3O/c22-14-4-6-19-17(9-14)21(26-12-25-19)27-16-5-7-20(18(23)10-16)28-11-13-2-1-3-15(24)8-13/h1-10,12H,11H2,(H,25,26,27)
InChIKey
IWJDBOBJWQISKU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
22
Fraction Csp3
0.05
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
112.7
TPSA
47.04
LogP / Solubility
WLOGP
6.51
MLOGP
5.76
XLogP3
6.3
Consensus LogP
6.19
Log S (ESOL)
-7.04
Class (ESOL)
Insoluble
Log S (Ali)
-8.02
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.64
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-0.9
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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