Diethyl 5,5'-disulfanediylbis(4-nitrothiophene-2-carboxylate)
TL;DR: Diethyl 5,5'-disulfanediylbis(4-nitrothiophene-2-carboxylate) (CAS 74462-73-0) is a chemical compound with molecular formula C14H12N2O8S4 and molecular weight 463.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-[(5-ethoxycarbonyl-3-nitrothiophen-2-yl)disulfanyl]-4-nitrothiophene-2-carboxylate
Also Known As: Diethyl 5,5'-disulfanediylbis(4-nitrothiophene-2-carboxylate), ethyl 5-[(5-ethoxycarbonyl-3-nitrothiophen-2-yl)disulfanyl]-4-nitrothiophene-2-carboxylate, ETHYL 5-(5-ETHOXYCARBONYL-3-NITRO-THIOPHEN-2-YL)DISULFANYL-4-NITRO-THIOPHENE-2-CARBOXYLATE
| Molecular Formula | C14H12N2O8S4 |
|---|---|
| Molecular Weight | 463.95 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 251.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 9 |
| Exact Mass | 463.94766 |
| Heavy Atoms | 28 |
| Complexity | 561.0 |
Chemical Identifiers
| CAS Number | 74462-73-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=C(S1)SSC2=C(C=C(S2)C(=O)OCC)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | WLXMEJCPUQXJQF-UHFFFAOYSA-N |
Product Overview
Diethyl 5,5'-disulfanediylbis(4-nitrothiophene-2-carboxylate) (CAS 74462-73-0), with molecular formula C14H12N2O8S4 and molecular weight 463.95 g/mol. IUPAC: ethyl 5-[(5-ethoxycarbonyl-3-nitrothiophen-2-yl)disulfanyl]-4-nitrothiophene-2-carboxylate.
Chemical Property Profile of Diethyl 5,5'-disulfanediylbis(4-nitrothiophene-2-carboxylate)
Property Insights of Diethyl 5,5'-disulfanediylbis(4-nitrothiophene-2-carboxylate)
The XLogP value of 4.8 indicates that Diethyl 5,5'-disulfanediylbis(4-nitrothiophene-2-carboxylate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 251.0 Ų indicates high polarity, suggesting Diethyl 5,5'-disulfanediylbis(4-nitrothiophene-2-carboxylate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Diethyl 5,5'-disulfanediylbis(4-nitrothiophene-2-carboxylate) has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Diethyl 5,5'-disulfanediylbis(4-nitrothiophene-2-carboxylate)?
The CAS number of Diethyl 5,5'-disulfanediylbis(4-nitrothiophene-2-carboxylate) is 74462-73-0.
What is the molecular formula of Diethyl 5,5'-disulfanediylbis(4-nitrothiophene-2-carboxylate)?
The molecular formula of Diethyl 5,5'-disulfanediylbis(4-nitrothiophene-2-carboxylate) is C14H12N2O8S4.
What is the molecular weight of Diethyl 5,5'-disulfanediylbis(4-nitrothiophene-2-carboxylate)?
The molecular weight of Diethyl 5,5'-disulfanediylbis(4-nitrothiophene-2-carboxylate) is 463.95 g/mol.
Where can I buy Diethyl 5,5'-disulfanediylbis(4-nitrothiophene-2-carboxylate)?
You can request a quote for Diethyl 5,5'-disulfanediylbis(4-nitrothiophene-2-carboxylate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 5,5'-disulfanediylbis(4-nitrothiophene-2-carboxylate)?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 5,5'-disulfanediylbis(4-nitrothiophene-2-carboxylate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.