![2-[(2-Carboxy-4-nitrophenyl)disulfanyl]-5-nitrobenzoic acid structure](/static/products/1170/1170-38-3.webp)
2-[(2-Carboxy-4-nitrophenyl)disulfanyl]-5-nitrobenzoic acid
TL;DR: 2-[(2-Carboxy-4-nitrophenyl)disulfanyl]-5-nitrobenzoic acid (CAS 1170-38-3) 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.
2-[(2-carboxy-4-nitrophenyl)disulfanyl]-5-nitrobenzoic acid
Also Known As: 2,2'-dithiobis[5-nitrobenzoic acid], 2,2/'-Dithiobis(5-nitrobenzoic acid), 2-[(2-carboxy-4-nitrophenyl)disulfanyl]-5-nitrobenzoic acid, 6,6'-dithiobis(3-nitrobenzoic) acid, bis-(carboxy-4-nitro-phenyl)disulfide
| Molecular Formula | C14H8N2O8S2 |
|---|---|
| Molecular Weight | 395.97 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 217.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 395.9722 |
| Heavy Atoms | 26 |
| Complexity | 528.0 |
Chemical Identifiers
| CAS Number | 1170-38-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)SSC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O |
| InChIKey | DUXMDNPYAFSEDK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-[(2-Carboxy-4-nitrophenyl)disulfanyl]-5-nitrobenzoic acid (CAS 1170-38-3), with molecular formula C14H8N2O8S2 and molecular weight 395.97 g/mol. IUPAC: 2-[(2-carboxy-4-nitrophenyl)disulfanyl]-5-nitrobenzoic acid.
Chemical Property Profile of 2-[(2-Carboxy-4-nitrophenyl)disulfanyl]-5-nitrobenzoic acid
Property Insights of 2-[(2-Carboxy-4-nitrophenyl)disulfanyl]-5-nitrobenzoic acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(2-Carboxy-4-nitrophenyl)disulfanyl]-5-nitrobenzoic acid. The TPSA of 217.0 Ų indicates high polarity, suggesting 2-[(2-Carboxy-4-nitrophenyl)disulfanyl]-5-nitrobenzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-[(2-Carboxy-4-nitrophenyl)disulfanyl]-5-nitrobenzoic 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-Carboxy-4-nitrophenyl)disulfanyl]-5-nitrobenzoic acid?
The CAS number of 2-[(2-Carboxy-4-nitrophenyl)disulfanyl]-5-nitrobenzoic acid is 1170-38-3.
What is the molecular formula of 2-[(2-Carboxy-4-nitrophenyl)disulfanyl]-5-nitrobenzoic acid?
The molecular formula of 2-[(2-Carboxy-4-nitrophenyl)disulfanyl]-5-nitrobenzoic acid is C14H8N2O8S2.
What is the molecular weight of 2-[(2-Carboxy-4-nitrophenyl)disulfanyl]-5-nitrobenzoic acid?
The molecular weight of 2-[(2-Carboxy-4-nitrophenyl)disulfanyl]-5-nitrobenzoic acid is 395.97 g/mol.
Where can I buy 2-[(2-Carboxy-4-nitrophenyl)disulfanyl]-5-nitrobenzoic acid?
You can request a quote for 2-[(2-Carboxy-4-nitrophenyl)disulfanyl]-5-nitrobenzoic 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-Carboxy-4-nitrophenyl)disulfanyl]-5-nitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-Carboxy-4-nitrophenyl)disulfanyl]-5-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.