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CAS 90004-09-4 7-AMINO-4(1H)-QUINAZOLINONE molecular structure lightbox
CAS RN: 90004-09-4

7-AMINO-4(1H)-QUINAZOLINONE

  • Product code: SSC-202341
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 90004-09-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

90004-09-4 / 7-amino-4aH-quinazolin-4-one

Standard CAS: 90004-09-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
90004-09-4
Multi CAS
Yes
Molecular Formula
C8H7N3O
Molecular Weight
161.160000
Exact Mass
161.058912
InChI
InChI=1S/C8H7N3O/c9-5-1-2-6-7(3-5)10-4-11-8(6)12/h1-4,6H,9H2
InChIKey
GDZNFYDLSTWZEN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.12
H-bond acceptors
3
H-bond donors
1
Molar refractivity
45.83
TPSA
67.81

LogP / Solubility

WLOGP
0.02
MLOGP
0.02
XLogP3
-0.2
Consensus LogP
-0.05
Log S (ESOL)
-0.85
Class (ESOL)
Very soluble
Log S (Ali)
-0.9
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.73
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.69

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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