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CAS 6421-04-1 Diethyl Azoxybenzene-4,4′-dicarboxylate molecular structure lightbox
CAS RN: 6421-04-1

Diethyl Azoxybenzene-4,4′-dicarboxylate

  • Product code: SSC-173978
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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: ≥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 6421-04-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shanghai Inquiry

6421-04-1 / (4-ethoxycarbonylphenyl)-(4-ethoxycarbonylphenyl)imino-oxidoazanium

Standard CAS: 6421-04-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6421-04-1
Multi CAS
Yes
Molecular Formula
C18H18N2O5
Molecular Weight
342.300000
Exact Mass
342.121572
InChI
InChI=1S/C18H18N2O5/c1-3-24-17(21)13-5-9-15(10-6-13)19-20(23)16-11-7-14(8-12-16)18(22)25-4-2/h5-12H,3-4H2,1-2H3
InChIKey
LOOVRYZFUGHEMF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.22
Rotatable bonds
6
H-bond acceptors
6
Molar refractivity
90.17
TPSA
91.03

LogP / Solubility

WLOGP
3.97
MLOGP
3.51
XLogP3
3.6
Consensus LogP
3.69
Log S (ESOL)
-4.42
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.9
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.99

Drug-likeness / Medicinal Chemistry

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

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