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CAS 765899-28-3 6,7-dimethoxy-N-(4-nitrophenyl)quinazolin-4-amine molecular structure lightbox
CAS RN: 765899-28-3

6,7-dimethoxy-N-(4-nitrophenyl)quinazolin-4-amine

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2 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260215 10mg Out of stock Inquiry
Batchno.20260317 50mg Out of stock Inquiry
  • Product code: starshine_CAS765899-28-3
  • Purity/Analytical Methods: >99.0%
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765899-28-3 / 6,7-dimethoxy-N-(4-nitrophenyl)quinazolin-4-amine

Standard CAS: 765899-28-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
765899-28-3
Multi CAS
No
Molecular Formula
C16H14N4O4
Molecular Weight
326.310000
Exact Mass
326.101505
InChI
InChI=1S/C16H14N4O4/c1-23-14-7-12-13(8-15(14)24-2)17-9-18-16(12)19-10-3-5-11(6-4-10)20(21)22/h3-9H,1-2H3,(H,17,18,19)
InChIKey
IJPROWBQSHRNDZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
16
Fraction Csp3
0.12
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
1
Molar refractivity
89.02
TPSA
99.41

LogP / Solubility

WLOGP
3.3
MLOGP
2.92
XLogP3
3.2
Consensus LogP
3.14
Log S (ESOL)
-4.1
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.62
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.12
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.37

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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