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CAS 295330-61-9 4-(3-bromoanilino)-6-hydroxy-7-methoxyquinazoline molecular structure lightbox
CAS RN: 295330-61-9

4-(3-bromoanilino)-6-hydroxy-7-methoxyquinazoline

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260601 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS295330-61-9
  • Purity/Analytical Methods: >99.0%
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295330-61-9 / 4-(3-bromoanilino)-7-methoxyquinazolin-6-ol

Standard CAS: 295330-61-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
295330-61-9
Multi CAS
Yes
Molecular Formula
BC15H12O2Rn3
Molecular Weight
346.180000
Exact Mass
345.011290
InChI
InChI=1S/C15H12BrN3O2/c1-21-14-7-12-11(6-13(14)20)15(18-8-17-12)19-10-4-2-3-9(16)5-10/h2-8,20H,1H3,(H,17,18,19)
InChIKey
DZWMMLDTYCTYBC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
16
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
85.18
TPSA
67.27

LogP / Solubility

WLOGP
3.85
MLOGP
3.41
XLogP3
3.7
Consensus LogP
3.65
Log S (ESOL)
-4.78
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.47
Class (SILICOS-IT)
Slightly soluble

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
No
Log Kp (skin permeation)
-2.1

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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