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CAS 55390-99-3 3-AMINO-2-(4-METHOXYPHENYL)QUINAZOLIN-4(3H)-ONE molecular structure lightbox
CAS RN: 55390-99-3

3-AMINO-2-(4-METHOXYPHENYL)QUINAZOLIN-4(3H)-ONE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251120 500mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS55390-99-3
  • Purity/Analytical Methods: >99.0%
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55390-99-3 / 3-amino-2-(4-methoxyphenyl)quinazolin-4-one

Standard CAS: 55390-99-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
55390-99-3
Multi CAS
No
Molecular Formula
C15H13N3O2
Molecular Weight
267.280000
Exact Mass
267.100777
InChI
InChI=1S/C15H13N3O2/c1-20-11-8-6-10(7-9-11)14-17-13-5-3-2-4-12(13)15(19)18(14)16/h2-9H,16H2,1H3
InChIKey
ARZJEBXFTPBYCK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
16
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
78.14
TPSA
70.14

LogP / Solubility

WLOGP
1.79
MLOGP
1.58
XLogP3
1.8
Consensus LogP
1.72
Log S (ESOL)
-3.08
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.04
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.12
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.08

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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