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CAS 932016-10-9 4-((4-Bromo-2-fluorophenyl)amino)-6-methoxyquinazolin-7-ol hydrochloride molecular structure lightbox
CAS RN: 932016-10-9

4-((4-Bromo-2-fluorophenyl)amino)-6-methoxyquinazolin-7-ol hydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250528 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS932016-10-9
  • Purity/Analytical Methods: >99.0%
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932016-10-9 / 4-(4-bromo-2-fluoroanilino)-6-methoxyquinazolin-7-ol;hydrochloride

Standard CAS: 932016-10-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
932016-10-9
Multi CAS
No
Molecular Formula
C15H12BRCLFN3O2
Molecular Weight
400.630000
Exact Mass
398.978550
InChI
InChI=1S/C15H11BrFN3O2.ClH/c1-22-14-5-9-12(6-13(14)21)18-7-19-15(9)20-11-3-2-8(16)4-10(11)17;/h2-7,21H,1H3,(H,18,19,20);1H
InChIKey
IMHBCJLBWWVOGV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
16
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
92.39
TPSA
67.27

LogP / Solubility

WLOGP
4.41
MLOGP
3.91
XLogP3
4.41
Consensus LogP
4.24
Log S (ESOL)
-5.42
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.03
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.29
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)
-2.03

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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