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CAS 50440-82-9 2-AMINO-6-METHYL-4(3H)-QUINAZOLONE molecular structure lightbox
CAS RN: 50440-82-9

2-AMINO-6-METHYL-4(3H)-QUINAZOLONE

  • Product code: SSC-156985
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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: 1g
  • 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 50440-82-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

50440-82-9 / 2-amino-6-methyl-4aH-quinazolin-4-one

Standard CAS: 50440-82-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
50440-82-9
Multi CAS
Yes
Molecular Formula
C9H9N3O
Molecular Weight
175.190000
Exact Mass
175.074562
InChI
InChI=1S/C9H9N3O/c1-5-2-3-7-6(4-5)8(13)12-9(10)11-7/h2-4H,1H3,(H3,10,11,12,13)
InChIKey
DJYDUJAKTAWKTN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.22
H-bond acceptors
3
H-bond donors
1
Molar refractivity
50.45
TPSA
67.81

LogP / Solubility

WLOGP
0.41
MLOGP
0.36
XLogP3
0.1
Consensus LogP
0.29
Log S (ESOL)
-1.19
Class (ESOL)
Soluble
Log S (Ali)
-1.3
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.14
Class (SILICOS-IT)
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)
-3.49

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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