6,6'-Diselenobis-(3-nitrobenzoic acid)
TL;DR: 6,6'-Diselenobis-(3-nitrobenzoic acid) (CAS 80180-68-3) is a chemical compound with molecular formula C14H8N2O8Se2 and molecular weight 491.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-carboxy-4-nitrophenyl)diselanyl]-5-nitrobenzoic acid
Also Known As: DSENB, 6,6'-diselenobis-, 6,6'-Diselenobis-(3-nitrobenzoic acid), 2-[(2-carboxy-4-nitrophenyl)diselanyl]-5-nitrobenzoic acid, Benzoic acid,2,2'-diselenobis[5-nitro- (9CI)
| Molecular Formula | C14H8N2O8Se2 |
|---|---|
| Molecular Weight | 491.86 g/mol |
| LogP | 0.1736 |
| Topological Polar Surface Area | 166.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 491.8611 |
| Heavy Atoms | 26 |
| Complexity | 528.0 |
Chemical Identifiers
| CAS Number | 80180-68-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)[Se][Se]C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O |
| InChIKey | DSWCVZVEOQOMDP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6,6'-Diselenobis-(3-nitrobenzoic acid) (CAS 80180-68-3), with molecular formula C14H8N2O8Se2 and molecular weight 491.86 g/mol. IUPAC: 2-[(2-carboxy-4-nitrophenyl)diselanyl]-5-nitrobenzoic acid.
Chemical Property Profile of 6,6'-Diselenobis-(3-nitrobenzoic acid)
Property Insights of 6,6'-Diselenobis-(3-nitrobenzoic acid)
The XLogP value of 0.1736 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,6'-Diselenobis-(3-nitrobenzoic acid). The TPSA of 166.0 Ų indicates high polarity, suggesting 6,6'-Diselenobis-(3-nitrobenzoic acid) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6,6'-Diselenobis-(3-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 6,6'-Diselenobis-(3-nitrobenzoic acid)?
The CAS number of 6,6'-Diselenobis-(3-nitrobenzoic acid) is 80180-68-3.
What is the molecular formula of 6,6'-Diselenobis-(3-nitrobenzoic acid)?
The molecular formula of 6,6'-Diselenobis-(3-nitrobenzoic acid) is C14H8N2O8Se2.
What is the molecular weight of 6,6'-Diselenobis-(3-nitrobenzoic acid)?
The molecular weight of 6,6'-Diselenobis-(3-nitrobenzoic acid) is 491.86 g/mol.
Where can I buy 6,6'-Diselenobis-(3-nitrobenzoic acid)?
You can request a quote for 6,6'-Diselenobis-(3-nitrobenzoic acid) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,6'-Diselenobis-(3-nitrobenzoic acid)?
Yes, KEHONG BIO provides custom synthesis services for 6,6'-Diselenobis-(3-nitrobenzoic acid) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.