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CAS 317814-59-8 N-(2,4-DIMETHYL-PHENYL)-2-(3-OXO-1,2,3,4-TETRAHYDRO-QUINOXALIN-2-YL)-ACETAMIDE molecular structure lightbox
CAS RN: 317814-59-8

N-(2,4-DIMETHYL-PHENYL)-2-(3-OXO-1,2,3,4-TETRAHYDRO-QUINOXALIN-2-YL)-ACETAMIDE

  • Product code: SSC-137204
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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 317814-59-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

317814-59-8 / N-(2,4-dimethylphenyl)-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide

Standard CAS: 317814-59-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
317814-59-8
Multi CAS
No
Molecular Formula
C18H19N3O2
Molecular Weight
309.400000
Exact Mass
309.147727
InChI
InChI=1S/C18H19N3O2/c1-11-7-8-13(12(2)9-11)20-17(22)10-16-18(23)21-15-6-4-3-5-14(15)19-16/h3-9,16,19H,10H2,1-2H3,(H,20,22)(H,21,23)
InChIKey
JPRPRHDGSSTJCT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
91.65
TPSA
70.23

LogP / Solubility

WLOGP
3.06
MLOGP
2.71
XLogP3
2.5
Consensus LogP
2.76
Log S (ESOL)
-3.88
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.31
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.57
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.43

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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