![3-[(5-Carboxy-2-nitrophenyl)disulfanyl]-4-nitrobenzoic acid structure](/static/products/815/81542-89-4.png)
3-[(5-Carboxy-2-nitrophenyl)disulfanyl]-4-nitrobenzoic acid
TL;DR: 3-[(5-Carboxy-2-nitrophenyl)disulfanyl]-4-nitrobenzoic acid (CAS 81542-89-4) is a chemical compound with molecular formula C14H8N2O8S2 and molecular weight 395.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5-carboxy-2-nitrophenyl)disulfanyl]-4-nitrobenzoic acid
Also Known As: 5,5 -Dithiobis(4-nitrobenzoic acid), 3,3'-DITHIOBIS(4-NITROBENZOIC ACID), 3-[(5-carboxy-2-nitrophenyl)disulfanyl]-4-nitrobenzoic acid, 3-(5-carboxy-2-nitro-phenyl)disulfanyl-4-nitro-benzoic Acid, 3-[(3-carboxy-6-nitrophenyl)disulfanyl]-4-nitrobenzoic acid
| Molecular Formula | C14H8N2O8S2 |
|---|---|
| Molecular Weight | 395.97 g/mol |
| LogP | 3.6988 |
| Topological Polar Surface Area | 160.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 395.9722 |
| Heavy Atoms | 26 |
| Complexity | 855.65796 |
Chemical Identifiers
| CAS Number | 81542-89-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)O)SSC2=C(C=CC(=C2)C(=O)O)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
3-[(5-Carboxy-2-nitrophenyl)disulfanyl]-4-nitrobenzoic acid (CAS 81542-89-4), with molecular formula C14H8N2O8S2 and molecular weight 395.97 g/mol. IUPAC: 3-[(5-carboxy-2-nitrophenyl)disulfanyl]-4-nitrobenzoic acid.
Chemical Property Profile of 3-[(5-Carboxy-2-nitrophenyl)disulfanyl]-4-nitrobenzoic acid
Property Insights of 3-[(5-Carboxy-2-nitrophenyl)disulfanyl]-4-nitrobenzoic acid
The XLogP value of 3.6988 indicates that 3-[(5-Carboxy-2-nitrophenyl)disulfanyl]-4-nitrobenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 160.88 Ų indicates high polarity, suggesting 3-[(5-Carboxy-2-nitrophenyl)disulfanyl]-4-nitrobenzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-[(5-Carboxy-2-nitrophenyl)disulfanyl]-4-nitrobenzoic acid has 2 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 3-[(5-Carboxy-2-nitrophenyl)disulfanyl]-4-nitrobenzoic acid?
The CAS number of 3-[(5-Carboxy-2-nitrophenyl)disulfanyl]-4-nitrobenzoic acid is 81542-89-4.
What is the molecular formula of 3-[(5-Carboxy-2-nitrophenyl)disulfanyl]-4-nitrobenzoic acid?
The molecular formula of 3-[(5-Carboxy-2-nitrophenyl)disulfanyl]-4-nitrobenzoic acid is C14H8N2O8S2.
What is the molecular weight of 3-[(5-Carboxy-2-nitrophenyl)disulfanyl]-4-nitrobenzoic acid?
The molecular weight of 3-[(5-Carboxy-2-nitrophenyl)disulfanyl]-4-nitrobenzoic acid is 395.97 g/mol.
Where can I buy 3-[(5-Carboxy-2-nitrophenyl)disulfanyl]-4-nitrobenzoic acid?
You can request a quote for 3-[(5-Carboxy-2-nitrophenyl)disulfanyl]-4-nitrobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(5-Carboxy-2-nitrophenyl)disulfanyl]-4-nitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(5-Carboxy-2-nitrophenyl)disulfanyl]-4-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.