CAS RN: 768350-54-5
7-(benzyloxy)-N-(4-bromo-2-fluorophenyl)-6-methoxyquinazolin-4-amine
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250212 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS768350-54-5
- Purity/Analytical Methods: >99.0%
768350-54-5 / N-(4-bromo-2-fluorophenyl)-6-methoxy-7-phenylmethoxyquinazolin-4-amine
Basic Information
CAS
768350-54-5
Multi CAS
No
Molecular Formula
BC22H17N3O2Rf
Molecular Weight
454.300000
Exact Mass
453.048820
InChI
InChI=1S/C22H17BrFN3O2/c1-28-20-10-16-19(11-21(20)29-12-14-5-3-2-4-6-14)25-13-26-22(16)27-18-8-7-15(23)9-17(18)24/h2-11,13H,12H2,1H3,(H,25,26,27)
InChIKey
UPEHYJHYPMGWJC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
22
Fraction Csp3
0.09
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
1
Molar refractivity
114.25
TPSA
56.27
LogP / Solubility
WLOGP
5.86
MLOGP
5.19
XLogP3
5.6
Consensus LogP
5.55
Log S (ESOL)
-6.52
Class (ESOL)
Insoluble
Log S (Ali)
-7.52
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.2
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)
-1.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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