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N-[2,2-bis(benzenesulfonyl)ethenyl]-4-ethoxy-2-nitroaniline
TL;DR: N-[2,2-bis(benzenesulfonyl)ethenyl]-4-ethoxy-2-nitroaniline (CAS 702647-90-3) is a chemical compound with molecular formula C22H20N2O7S2 and molecular weight 488.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2,2-bis(benzenesulfonyl)ethenyl]-4-ethoxy-2-nitroaniline
Also Known As: SDCCGSBI-0660498.P001, N-[2,2-bis(benzenesulfonyl)ethenyl]-4-ethoxy-2-nitroaniline, AB00686331-01, F1637-0031, N-(2,2-bis(phenylsulfonyl)vinyl)-4-ethoxy-2-nitroaniline
| Molecular Formula | C22H20N2O7S2 |
|---|---|
| Molecular Weight | 488.07 g/mol |
| LogP | 4.1521 |
| Topological Polar Surface Area | 132.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 488.0712 |
| Heavy Atoms | 33 |
| Complexity | 1315.6716 |
Chemical Identifiers
| CAS Number | 702647-90-3 |
|---|---|
| SMILES | CCOC1=CC(=C(C=C1)NC=C(S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)[N+](=O)[O-] |
Product Overview
N-[2,2-bis(benzenesulfonyl)ethenyl]-4-ethoxy-2-nitroaniline (CAS 702647-90-3), with molecular formula C22H20N2O7S2 and molecular weight 488.07 g/mol. IUPAC: N-[2,2-bis(benzenesulfonyl)ethenyl]-4-ethoxy-2-nitroaniline.
Chemical Property Profile of N-[2,2-bis(benzenesulfonyl)ethenyl]-4-ethoxy-2-nitroaniline
Property Insights of N-[2,2-bis(benzenesulfonyl)ethenyl]-4-ethoxy-2-nitroaniline
The XLogP value of 4.1521 indicates that N-[2,2-bis(benzenesulfonyl)ethenyl]-4-ethoxy-2-nitroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.68 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[2,2-bis(benzenesulfonyl)ethenyl]-4-ethoxy-2-nitroaniline. Following Lipinski's Rule of Five, N-[2,2-bis(benzenesulfonyl)ethenyl]-4-ethoxy-2-nitroaniline has 1 hydrogen bond donor(s) and 8 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 N-[2,2-bis(benzenesulfonyl)ethenyl]-4-ethoxy-2-nitroaniline?
The CAS number of N-[2,2-bis(benzenesulfonyl)ethenyl]-4-ethoxy-2-nitroaniline is 702647-90-3.
What is the molecular formula of N-[2,2-bis(benzenesulfonyl)ethenyl]-4-ethoxy-2-nitroaniline?
The molecular formula of N-[2,2-bis(benzenesulfonyl)ethenyl]-4-ethoxy-2-nitroaniline is C22H20N2O7S2.
What is the molecular weight of N-[2,2-bis(benzenesulfonyl)ethenyl]-4-ethoxy-2-nitroaniline?
The molecular weight of N-[2,2-bis(benzenesulfonyl)ethenyl]-4-ethoxy-2-nitroaniline is 488.07 g/mol.
Where can I buy N-[2,2-bis(benzenesulfonyl)ethenyl]-4-ethoxy-2-nitroaniline?
You can request a quote for N-[2,2-bis(benzenesulfonyl)ethenyl]-4-ethoxy-2-nitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[2,2-bis(benzenesulfonyl)ethenyl]-4-ethoxy-2-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for N-[2,2-bis(benzenesulfonyl)ethenyl]-4-ethoxy-2-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.