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CAS 87973-61-3 4-Amino-3,4-dihydroquinoxalin-2(1H)-one molecular structure lightbox
CAS RN: 87973-61-3

4-Amino-3,4-dihydroquinoxalin-2(1H)-one

  • Product code: SSC-198367
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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 87973-61-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Beijing Inquiry

87973-61-3 / 4-amino-1,3-dihydroquinoxalin-2-one

Standard CAS: 87973-61-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
87973-61-3
Multi CAS
No
Molecular Formula
C8H9N3O
Molecular Weight
163.180000
Exact Mass
163.074562
InChI
InChI=1S/C8H9N3O/c9-11-5-8(12)10-6-3-1-2-4-7(6)11/h1-4H,5,9H2,(H,10,12)
InChIKey
KPCPJPPTKDIIBG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
H-bond acceptors
3
H-bond donors
2
Molar refractivity
46.61
TPSA
58.36

LogP / Solubility

WLOGP
0.32
MLOGP
0.28
XLogP3
0.3
Consensus LogP
0.3
Log S (ESOL)
-1.42
Class (ESOL)
Soluble
Log S (Ali)
-1.13
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.99
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)
-3.49

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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