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CAS 24255-27-4 4-(3-NITRO-2-PYRIDINYL)MORPHOLINE molecular structure lightbox
CAS RN: 24255-27-4

4-(3-NITRO-2-PYRIDINYL)MORPHOLINE

  • Product code: SSC-118387
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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
  • Available purity: ≥97%
  • 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 24255-27-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Shanghai Inquiry

24255-27-4 / 4-(3-nitro-2-pyridinyl)morpholine

Standard CAS: 24255-27-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
24255-27-4
Multi CAS
No
Molecular Formula
C9H11N3O3
Molecular Weight
209.200000
Exact Mass
209.080041
SMILES
C1COCCN1C2=C(C=CC=N2)[N+](=O)[O-]
InChI
InChI=1S/C9H11N3O3/c13-12(14)8-2-1-3-10-9(8)11-4-6-15-7-5-11/h1-3H,4-7H2
InChIKey
QMINJWUSSJFQBR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
53.92
TPSA
68.5

LogP / Solubility

WLOGP
0.83
MLOGP
0.73
XLogP3
0.8
Consensus LogP
0.79
Log S (ESOL)
-1.82
Class (ESOL)
Soluble
Log S (Ali)
-1.87
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.95
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)
-3.41

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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