4,4'-磺酰双(2-硝基苯甲酸)
TL;DR: 4,4'-磺酰双(2-硝基苯甲酸) (CAS 22437-96-3) is a chemical compound with molecular formula C14H8N2O10S and molecular weight 395.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4'-磺酰双(2-硝基苯甲酸)
4-(4-carboxy-3-nitrophenyl)sulfonyl-2-nitrobenzoic acid
Also Known As: 4,4'-Sulfonylbis(2-nitrobenzoic acid), 4,4 -Sulfonylbis(2-nitrobenzoic acid), 3,3'-Dinitro-4,4'-dicarboxydiphenylsulfone, 4-(4-carboxy-3-nitrophenyl)sulfonyl-2-nitrobenzoic acid, 4-(4-carboxy-3-nitro-phenyl)sulfonyl-2-nitro-benzoic acid
| Molecular Formula | C14H8N2O10S |
|---|---|
| Molecular Weight | 395.99 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 209.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 395.98996 |
| Heavy Atoms | 27 |
| Complexity | 678.0 |
Chemical Identifiers
| CAS Number | 22437-96-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1S(=O)(=O)C2=CC(=C(C=C2)C(=O)O)[N+](=O)[O-])[N+](=O)[O-])C(=O)O |
| InChIKey | OVZZXSOYKIKFFW-UHFFFAOYSA-N |
Product Overview
4,4'-磺酰双(2-硝基苯甲酸) (CAS 22437-96-3), with molecular formula C14H8N2O10S and molecular weight 395.99 g/mol. IUPAC: 4-(4-carboxy-3-nitrophenyl)sulfonyl-2-nitrobenzoic acid.
Chemical Property Profile of 4,4'-磺酰双(2-硝基苯甲酸)
Property Insights of 4,4'-磺酰双(2-硝基苯甲酸)
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4'-磺酰双(2-硝基苯甲酸). The TPSA of 209.0 Ų indicates high polarity, suggesting 4,4'-磺酰双(2-硝基苯甲酸) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4,4'-磺酰双(2-硝基苯甲酸) 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 4,4'-磺酰双(2-硝基苯甲酸)?
The CAS number of 4,4'-磺酰双(2-硝基苯甲酸) is 22437-96-3.
What is the molecular formula of 4,4'-磺酰双(2-硝基苯甲酸)?
The molecular formula of 4,4'-磺酰双(2-硝基苯甲酸) is C14H8N2O10S.
What is the molecular weight of 4,4'-磺酰双(2-硝基苯甲酸)?
The molecular weight of 4,4'-磺酰双(2-硝基苯甲酸) is 395.99 g/mol.
Where can I buy 4,4'-磺酰双(2-硝基苯甲酸)?
You can request a quote for 4,4'-磺酰双(2-硝基苯甲酸) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-磺酰双(2-硝基苯甲酸)?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-磺酰双(2-硝基苯甲酸) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.