(E)-N-(2,4-dinitronaphthalen-1-yl)-2-phenylethenesulfonamide
TL;DR: (E)-N-(2,4-dinitronaphthalen-1-yl)-2-phenylethenesulfonamide (CAS 52077-94-8) is a chemical compound with molecular formula C18H13N3O6S and molecular weight 399.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-(2,4-dinitronaphthalen-1-yl)-2-phenylethenesulfonamide
Also Known As: (E)-N-(2,4-dinitronaphthalen-1-yl)-2-phenylethenesulfonamide
| Molecular Formula | C18H13N3O6S |
|---|---|
| Molecular Weight | 399.05 g/mol |
| LogP | 4.0688 |
| Topological Polar Surface Area | 132.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 399.05252 |
| Heavy Atoms | 28 |
| Complexity | 1206.723 |
Chemical Identifiers
| CAS Number | 52077-94-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C/S(=O)(=O)NC2=C(C=C(C3=CC=CC=C32)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
(E)-N-(2,4-dinitronaphthalen-1-yl)-2-phenylethenesulfonamide (CAS 52077-94-8), with molecular formula C18H13N3O6S and molecular weight 399.05 g/mol. IUPAC: (E)-N-(2,4-dinitronaphthalen-1-yl)-2-phenylethenesulfonamide.
Chemical Property Profile of (E)-N-(2,4-dinitronaphthalen-1-yl)-2-phenylethenesulfonamide
Property Insights of (E)-N-(2,4-dinitronaphthalen-1-yl)-2-phenylethenesulfonamide
The XLogP value of 4.0688 indicates that (E)-N-(2,4-dinitronaphthalen-1-yl)-2-phenylethenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.45 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-N-(2,4-dinitronaphthalen-1-yl)-2-phenylethenesulfonamide. Following Lipinski's Rule of Five, (E)-N-(2,4-dinitronaphthalen-1-yl)-2-phenylethenesulfonamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-N-(2,4-dinitronaphthalen-1-yl)-2-phenylethenesulfonamide?
The CAS number of (E)-N-(2,4-dinitronaphthalen-1-yl)-2-phenylethenesulfonamide is 52077-94-8.
What is the molecular formula of (E)-N-(2,4-dinitronaphthalen-1-yl)-2-phenylethenesulfonamide?
The molecular formula of (E)-N-(2,4-dinitronaphthalen-1-yl)-2-phenylethenesulfonamide is C18H13N3O6S.
What is the molecular weight of (E)-N-(2,4-dinitronaphthalen-1-yl)-2-phenylethenesulfonamide?
The molecular weight of (E)-N-(2,4-dinitronaphthalen-1-yl)-2-phenylethenesulfonamide is 399.05 g/mol.
Where can I buy (E)-N-(2,4-dinitronaphthalen-1-yl)-2-phenylethenesulfonamide?
You can request a quote for (E)-N-(2,4-dinitronaphthalen-1-yl)-2-phenylethenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-N-(2,4-dinitronaphthalen-1-yl)-2-phenylethenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-N-(2,4-dinitronaphthalen-1-yl)-2-phenylethenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.