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CAS 338992-20-4 Tert-butyl 4-((4-(4-bromo-2-fluorophenylamino)-6-methoxyquinazolin-7-yloxy)methyl)piperidine-1-carboxylate molecular structure lightbox
CAS RN: 338992-20-4

Tert-butyl 4-((4-(4-bromo-2-fluorophenylamino)-6-methoxyquinazolin-7-yloxy)methyl)piperidine-1-carboxylate

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250821 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS338992-20-4
  • Purity/Analytical Methods: >99.0%
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338992-20-4 / tert-butyl 4-[[4-(4-bromo-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxymethyl]piperidine-1-carboxylate

Standard CAS: 338992-20-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
338992-20-4
Multi CAS
Yes
Molecular Formula
BC26H30N4O4Rf
Molecular Weight
561.400000
Exact Mass
560.143450
InChI
InChI=1S/C26H30BrFN4O4/c1-26(2,3)36-25(33)32-9-7-16(8-10-32)14-35-23-13-21-18(12-22(23)34-4)24(30-15-29-21)31-20-6-5-17(27)11-19(20)28/h5-6,11-13,15-16H,7-10,14H2,1-4H3,(H,29,30,31)
InChIKey
DJQLEEANCWENKG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
36
Aromatic heavy atom count
16
Fraction Csp3
0.42
Rotatable bonds
6
H-bond acceptors
7
H-bond donors
1
Molar refractivity
139.5
TPSA
85.81

LogP / Solubility

WLOGP
6.31
MLOGP
5.6
XLogP3
5.8
Consensus LogP
5.9
Log S (ESOL)
-7.23
Class (ESOL)
Insoluble
Log S (Ali)
-8.72
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.27
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.67

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
4.5

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