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CAS 352458-03-8 N-(2-METHOXYPHENYL)-2-(3-OXO-1,2,3,4-TETRAHYDROQUINOXALIN-2-YL)ACETAMIDE molecular structure lightbox
CAS RN: 352458-03-8

N-(2-METHOXYPHENYL)-2-(3-OXO-1,2,3,4-TETRAHYDROQUINOXALIN-2-YL)ACETAMIDE

  • Product code: SSC-142159
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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 352458-03-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

352458-03-8 / N-(2-methoxyphenyl)-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide

Standard CAS: 352458-03-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
352458-03-8
Multi CAS
No
Molecular Formula
C17H17N3O3
Molecular Weight
311.330000
Exact Mass
311.126991
InChI
InChI=1S/C17H17N3O3/c1-23-15-9-5-4-8-13(15)19-16(21)10-14-17(22)20-12-7-3-2-6-11(12)18-14/h2-9,14,18H,10H2,1H3,(H,19,21)(H,20,22)
InChIKey
ADBJRYXMRWOLKF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.18
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
3
Molar refractivity
88.72
TPSA
79.46

LogP / Solubility

WLOGP
2.46
MLOGP
2.18
XLogP3
1.7
Consensus LogP
2.11
Log S (ESOL)
-3.44
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.89
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.2
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.87

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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