2-[2-[2-Nitro-4-(3-nitrophenyl)sulfonylanilino]ethoxy]ethanol structure

2-[2-[2-Nitro-4-(3-nitrophenyl)sulfonylanilino]ethoxy]ethanol

TL;DR: 2-[2-[2-Nitro-4-(3-nitrophenyl)sulfonylanilino]ethoxy]ethanol (CAS 5577-70-8) is a chemical compound with molecular formula C16H17N3O8S and molecular weight 411.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.

2-[2-[2-nitro-4-(3-nitrophenyl)sulfonylanilino]ethoxy]ethanol

Also Known As: BAS 00546333, 2-[2-[2-nitro-4-(3-nitrophenyl)sulfonylanilino]ethoxy]ethanol, 2-{2-[2-Nitro-4-(3-nitro-benzenesulfonyl)-phenylamino]-ethoxy}-ethanol, 2-(2-{2-nitro-4-[(3-nitrophenyl)sulfonyl]anilino}ethoxy)ethanol

CAS: 5577-70-8
Molecular Formula C16H17N3O8S
Molecular Weight 411.07 g/mol
LogP 1.7566
Topological Polar Surface Area 161.91 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 9
Rotatable Bonds 10
Exact Mass 411.07364
Heavy Atoms 28
Complexity 977.6047

Chemical Identifiers

CAS Number 5577-70-8
SMILES C1=CC(=CC(=C1)S(=O)(=O)C2=CC(=C(C=C2)NCCOCCO)[N+](=O)[O-])[N+](=O)[O-]

Product Overview

2-[2-[2-Nitro-4-(3-nitrophenyl)sulfonylanilino]ethoxy]ethanol (CAS 5577-70-8), with molecular formula C16H17N3O8S and molecular weight 411.07 g/mol. IUPAC: 2-[2-[2-nitro-4-(3-nitrophenyl)sulfonylanilino]ethoxy]ethanol.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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Chemical Property Profile of 2-[2-[2-Nitro-4-(3-nitrophenyl)sulfonylanilino]ethoxy]ethanol

XLogP
1.7566
TPSA (Topological Polar Surface Area)
161.91
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
9
Rotatable Bonds
10
Heavy Atoms
28
Complexity
977.6047
Exact Mass
411.07364
Monoisotopic Mass
411.07364
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of 2-[2-[2-Nitro-4-(3-nitrophenyl)sulfonylanilino]ethoxy]ethanol

The XLogP value of 1.7566 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[2-[2-Nitro-4-(3-nitrophenyl)sulfonylanilino]ethoxy]ethanol. The TPSA of 161.91 Ų indicates high polarity, suggesting 2-[2-[2-Nitro-4-(3-nitrophenyl)sulfonylanilino]ethoxy]ethanol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-[2-[2-Nitro-4-(3-nitrophenyl)sulfonylanilino]ethoxy]ethanol has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the typical lead time for this product?
Lead time typically ranges from 3-7 business days for in-stock items. For larger quantities or custom orders, please contact us for specific lead times.
Can you provide samples for testing?
Yes, we offer sample quantities for quality testing. Please submit an inquiry with your requirements and we will arrange samples accordingly.
What documentation do you provide with the product?
We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.
Do you ship internationally?
Yes, we ship to most countries worldwide. Shipping costs and delivery times vary by location. Please contact us for specific shipping information.

Frequently Asked Questions

What is the CAS number of 2-[2-[2-Nitro-4-(3-nitrophenyl)sulfonylanilino]ethoxy]ethanol?

The CAS number of 2-[2-[2-Nitro-4-(3-nitrophenyl)sulfonylanilino]ethoxy]ethanol is 5577-70-8.

What is the molecular formula of 2-[2-[2-Nitro-4-(3-nitrophenyl)sulfonylanilino]ethoxy]ethanol?

The molecular formula of 2-[2-[2-Nitro-4-(3-nitrophenyl)sulfonylanilino]ethoxy]ethanol is C16H17N3O8S.

What is the molecular weight of 2-[2-[2-Nitro-4-(3-nitrophenyl)sulfonylanilino]ethoxy]ethanol?

The molecular weight of 2-[2-[2-Nitro-4-(3-nitrophenyl)sulfonylanilino]ethoxy]ethanol is 411.07 g/mol.

Where can I buy 2-[2-[2-Nitro-4-(3-nitrophenyl)sulfonylanilino]ethoxy]ethanol?

You can request a quote for 2-[2-[2-Nitro-4-(3-nitrophenyl)sulfonylanilino]ethoxy]ethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.

Does KEHONG BIO offer custom synthesis for 2-[2-[2-Nitro-4-(3-nitrophenyl)sulfonylanilino]ethoxy]ethanol?

Yes, KEHONG BIO provides custom synthesis services for 2-[2-[2-Nitro-4-(3-nitrophenyl)sulfonylanilino]ethoxy]ethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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