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CAS 7557-00-8 7-Nitroquinazoline molecular structure lightbox
CAS RN: 7557-00-8

7-Nitroquinazoline

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250226 50mg In stock Shanghai, Shandong Inquiry
  • Product code: starshine_CAS7557-00-8
  • Purity/Analytical Methods: >99.0%
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7557-00-8 / 7-nitroquinazoline

Standard CAS: 7557-00-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
7557-00-8
Multi CAS
No
Molecular Formula
C8H5N3O2
Molecular Weight
175.140000
Exact Mass
175.038176
InChI
InChI=1S/C8H5N3O2/c12-11(13)7-2-1-6-4-9-5-10-8(6)3-7/h1-5H
InChIKey
GDYMOWJSENQTNU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
46.19
TPSA
68.92

LogP / Solubility

WLOGP
1.54
MLOGP
1.35
XLogP3
0.9
Consensus LogP
1.26
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.11
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.19
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.7

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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