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CAS 503615-03-0 3-Morpholino-1-(4-nitrophenyl)-5,6-dihydropyridin-2(1H)-one molecular structure lightbox
CAS RN: 503615-03-0

3-Morpholino-1-(4-nitrophenyl)-5,6-dihydropyridin-2(1H)-one

  • Product code: SSC-156863
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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: 5g, 10g
  • 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 503615-03-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry
10g ≥95% 0 Out of Stock Shenzhen Inquiry

503615-03-0 / 5-morpholin-4-yl-1-(4-nitrophenyl)-2,3-dihydropyridin-6-one

Standard CAS: 503615-03-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
503615-03-0
Multi CAS
No
Molecular Formula
C15H17N3O4
Molecular Weight
303.310000
Exact Mass
303.121906
InChI
InChI=1S/C15H17N3O4/c19-15-14(16-8-10-22-11-9-16)2-1-7-17(15)12-3-5-13(6-4-12)18(20)21/h2-6H,1,7-11H2
InChIKey
LBFAEOWNWSDWRZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
80.54
TPSA
75.92

LogP / Solubility

WLOGP
1.55
MLOGP
1.37
XLogP3
1.6
Consensus LogP
1.51
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.16
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.28
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.47

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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