2,2'-Ethane-1,2-diylbis(5-nitrobenzenesulfonic acid)
TL;DR: 2,2'-Ethane-1,2-diylbis(5-nitrobenzenesulfonic acid) (CAS 6404-60-0) is a chemical compound with molecular formula C14H12N2O10S2 and molecular weight 431.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitro-2-[2-(4-nitro-2-sulfophenyl)ethyl]benzenesulfonic acid
Also Known As: 2,2'-ethane-1,2-diylbis(5-nitrobenzenesulfonic acid), 4,4'-Dinitrobibenzyl-2,2'-disulfonic acid, BAS 00111851, 1,2-BIS(4-NITRO-2-SULFOPHENYL)ETHANE, 4,4'-Dinitro-2,2'-bibenzyldisulfonsaeure
| Molecular Formula | C14H12N2O10S2 |
|---|---|
| Molecular Weight | 431.99 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 217.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 431.99335 |
| Heavy Atoms | 28 |
| Complexity | 722.0 |
Chemical Identifiers
| CAS Number | 6404-60-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)O)CCC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)O |
| InChIKey | HIWGPUSFNWIYHO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2'-Ethane-1,2-diylbis(5-nitrobenzenesulfonic acid) (CAS 6404-60-0), with molecular formula C14H12N2O10S2 and molecular weight 431.99 g/mol. IUPAC: 5-nitro-2-[2-(4-nitro-2-sulfophenyl)ethyl]benzenesulfonic acid.
Chemical Property Profile of 2,2'-Ethane-1,2-diylbis(5-nitrobenzenesulfonic acid)
Property Insights of 2,2'-Ethane-1,2-diylbis(5-nitrobenzenesulfonic acid)
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2'-Ethane-1,2-diylbis(5-nitrobenzenesulfonic acid). The TPSA of 217.0 Ų indicates high polarity, suggesting 2,2'-Ethane-1,2-diylbis(5-nitrobenzenesulfonic acid) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,2'-Ethane-1,2-diylbis(5-nitrobenzenesulfonic acid) has 2 hydrogen bond donor(s) and 10 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 2,2'-Ethane-1,2-diylbis(5-nitrobenzenesulfonic acid)?
The CAS number of 2,2'-Ethane-1,2-diylbis(5-nitrobenzenesulfonic acid) is 6404-60-0.
What is the molecular formula of 2,2'-Ethane-1,2-diylbis(5-nitrobenzenesulfonic acid)?
The molecular formula of 2,2'-Ethane-1,2-diylbis(5-nitrobenzenesulfonic acid) is C14H12N2O10S2.
What is the molecular weight of 2,2'-Ethane-1,2-diylbis(5-nitrobenzenesulfonic acid)?
The molecular weight of 2,2'-Ethane-1,2-diylbis(5-nitrobenzenesulfonic acid) is 431.99 g/mol.
Where can I buy 2,2'-Ethane-1,2-diylbis(5-nitrobenzenesulfonic acid)?
You can request a quote for 2,2'-Ethane-1,2-diylbis(5-nitrobenzenesulfonic acid) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2'-Ethane-1,2-diylbis(5-nitrobenzenesulfonic acid)?
Yes, KEHONG BIO provides custom synthesis services for 2,2'-Ethane-1,2-diylbis(5-nitrobenzenesulfonic acid) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.