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CAS 3025-52-3 N,N-DIETHYL-4-(4-NITROPHENYLAZO)ANILINE molecular structure lightbox
CAS RN: 3025-52-3

N,N-DIETHYL-4-(4-NITROPHENYLAZO)ANILINE

  • Product code: SSC-134062
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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 3025-52-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

3025-52-3 / N,N-diethyl-4-[(4-nitrophenyl)diazenyl]aniline

Standard CAS: 3025-52-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
3025-52-3
Multi CAS
No
Molecular Formula
C16H18N4O2
Molecular Weight
298.340000
Exact Mass
298.142976
InChI
InChI=1S/C16H18N4O2/c1-3-19(4-2)15-9-5-13(6-10-15)17-18-14-7-11-16(12-8-14)20(21)22/h5-12H,3-4H2,1-2H3
InChIKey
LVQIWDUSUJTZJF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
6
H-bond acceptors
5
Molar refractivity
87.28
TPSA
71.1

LogP / Solubility

WLOGP
4.86
MLOGP
4.29
XLogP3
4.4
Consensus LogP
4.52
Log S (ESOL)
-4.76
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.51
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.35
Class (SILICOS-IT)
Insoluble

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)
-1.09

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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