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CAS 295330-64-2 4-[(3-bromophenyl)amino]-6-methylcarbonyloxy-7-methoxyquinazoline molecular structure lightbox
CAS RN: 295330-64-2

4-[(3-bromophenyl)amino]-6-methylcarbonyloxy-7-methoxyquinazoline

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250319 500mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS295330-64-2
  • Purity/Analytical Methods: >99.0%
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295330-64-2 / [4-(3-bromoanilino)-7-methoxyquinazolin-6-yl] acetate

Standard CAS: 295330-64-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
295330-64-2
Multi CAS
No
Molecular Formula
BC17H14O3Rn3
Molecular Weight
388.200000
Exact Mass
387.021850
InChI
InChI=1S/C17H14BrN3O3/c1-10(22)24-16-7-13-14(8-15(16)23-2)19-9-20-17(13)21-12-5-3-4-11(18)6-12/h3-9H,1-2H3,(H,19,20,21)
InChIKey
ZYQSHQHXTZJFSY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
16
Fraction Csp3
0.12
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
1
Molar refractivity
94.82
TPSA
73.34

LogP / Solubility

WLOGP
4.07
MLOGP
3.6
XLogP3
3.8
Consensus LogP
3.82
Log S (ESOL)
-5.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.68
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.04
Class (SILICOS-IT)
Insoluble

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)
-2.2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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