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CAS 19482-05-4 4,4′-Diamyloxyazoxybenzene molecular structure lightbox
CAS RN: 19482-05-4

4,4′-Diamyloxyazoxybenzene

  • Product code: SSC-091880
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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 19482-05-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

19482-05-4 / oxido-(4-pentoxyphenyl)-(4-pentoxyphenyl)iminoazanium

Standard CAS: 19482-05-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19482-05-4
Multi CAS
No
Molecular Formula
C22H30N2O3
Molecular Weight
370.500000
Exact Mass
370.225643
SMILES
CCCCCOC1=CC=C(C=C1)N=[N+](C2=CC=C(C=C2)OCCCCC)[O-]
InChI
InChI=1S/C22H30N2O3/c1-3-5-7-17-26-21-13-9-19(10-14-21)23-24(25)20-11-15-22(16-12-20)27-18-8-6-4-2/h9-16H,3-8,17-18H2,1-2H3
InChIKey
KJMATSUHPOPLMT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.45
Rotatable bonds
12
H-bond acceptors
4
Molar refractivity
108.3
TPSA
56.89

LogP / Solubility

WLOGP
6.75
MLOGP
5.96
XLogP3
6.7
Consensus LogP
6.47
Log S (ESOL)
-5.93
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.47
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.11
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.19

Drug-likeness / Medicinal Chemistry

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

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