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CAS 1435-60-5 4-(4-Nitrophenylazo)phenol molecular structure lightbox
CAS RN: 1435-60-5

4-(4-Nitrophenylazo)phenol

  • Product code: SSC-054941
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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 1435-60-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1435-60-5 / 4-[(4-nitrophenyl)diazenyl]phenol

Standard CAS: 1435-60-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1435-60-5
Multi CAS
No
Molecular Formula
C12H9N3O3
Molecular Weight
243.220000
Exact Mass
243.064391
SMILES
C1=CC(=CC=C1N=NC2=CC=C(C=C2)O)[N+](=O)[O-]
InChI
InChI=1S/C12H9N3O3/c16-12-7-3-10(4-8-12)14-13-9-1-5-11(6-2-9)15(17)18/h1-8,16H
InChIKey
NRJPVIOTANUINF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
65.38
TPSA
88.09

LogP / Solubility

WLOGP
3.72
MLOGP
3.28
XLogP3
3.7
Consensus LogP
3.57
Log S (ESOL)
-3.98
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.24
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.69
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)
-1.57

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264+P265, P280, P305+P351+P338, and P337+P317

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