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CAS 190728-24-6 Quinoline, 6,7-dimethoxy-4-(4-nitrophenoxy)- molecular structure lightbox
CAS RN: 190728-24-6

Quinoline, 6,7-dimethoxy-4-(4-nitrophenoxy)-

  • Product code: SSC-089260
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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: ≥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 190728-24-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

190728-24-6 / 6,7-dimethoxy-4-(4-nitrophenoxy)quinoline

Standard CAS: 190728-24-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
190728-24-6
Multi CAS
No
Molecular Formula
C17H14N2O5
Molecular Weight
326.300000
Exact Mass
326.090272
SMILES
COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C17H14N2O5/c1-22-16-9-13-14(10-17(16)23-2)18-8-7-15(13)24-12-5-3-11(4-6-12)19(20)21/h3-10H,1-2H3
InChIKey
YRYKZXCOGVCXBN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
16
Fraction Csp3
0.12
Rotatable bonds
5
H-bond acceptors
6
Molar refractivity
88.02
TPSA
83.72

LogP / Solubility

WLOGP
3.95
MLOGP
3.49
XLogP3
3.5
Consensus LogP
3.65
Log S (ESOL)
-4.52
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.09
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.66
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.9

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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