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Ethyl 5-nitro-2-[(5-nitrofuran-2-carbonyl)amino]thiophene-3-carboxylate
TL;DR: Ethyl 5-nitro-2-[(5-nitrofuran-2-carbonyl)amino]thiophene-3-carboxylate (CAS 477491-13-7) is a chemical compound with molecular formula C12H9N3O8S and molecular weight 355.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-nitro-2-[(5-nitrofuran-2-carbonyl)amino]thiophene-3-carboxylate
Also Known As: F0806-0138, ethyl 5-nitro-2-(5-nitrofuran-2-amido)thiophene-3-carboxylate, ethyl 5-nitro-2-(5-nitro-2-furylamino)-3-thenoate, Ethyl 5-nitro-2-[(5-nitrofuran-2-carbonyl)amino]thiophene-3-carboxylate, ethyl 5-nitro-2-(5-nitrofuran-2-carboxamido)thiophene-3-carboxylate
| Molecular Formula | C12H9N3O8S |
|---|---|
| Molecular Weight | 355.01 g/mol |
| LogP | 2.5865 |
| Topological Polar Surface Area | 154.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 355.01105 |
| Heavy Atoms | 24 |
| Complexity | 824.13464 |
Chemical Identifiers
| CAS Number | 477491-13-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1)[N+](=O)[O-])NC(=O)C2=CC=C(O2)[N+](=O)[O-] |
Product Overview
Ethyl 5-nitro-2-[(5-nitrofuran-2-carbonyl)amino]thiophene-3-carboxylate (CAS 477491-13-7), with molecular formula C12H9N3O8S and molecular weight 355.01 g/mol. IUPAC: ethyl 5-nitro-2-[(5-nitrofuran-2-carbonyl)amino]thiophene-3-carboxylate.
Chemical Property Profile of Ethyl 5-nitro-2-[(5-nitrofuran-2-carbonyl)amino]thiophene-3-carboxylate
Property Insights of Ethyl 5-nitro-2-[(5-nitrofuran-2-carbonyl)amino]thiophene-3-carboxylate
The XLogP value of 2.5865 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-nitro-2-[(5-nitrofuran-2-carbonyl)amino]thiophene-3-carboxylate. The TPSA of 154.82 Ų indicates high polarity, suggesting Ethyl 5-nitro-2-[(5-nitrofuran-2-carbonyl)amino]thiophene-3-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ethyl 5-nitro-2-[(5-nitrofuran-2-carbonyl)amino]thiophene-3-carboxylate has 1 hydrogen bond donor(s) and 9 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 Ethyl 5-nitro-2-[(5-nitrofuran-2-carbonyl)amino]thiophene-3-carboxylate?
The CAS number of Ethyl 5-nitro-2-[(5-nitrofuran-2-carbonyl)amino]thiophene-3-carboxylate is 477491-13-7.
What is the molecular formula of Ethyl 5-nitro-2-[(5-nitrofuran-2-carbonyl)amino]thiophene-3-carboxylate?
The molecular formula of Ethyl 5-nitro-2-[(5-nitrofuran-2-carbonyl)amino]thiophene-3-carboxylate is C12H9N3O8S.
What is the molecular weight of Ethyl 5-nitro-2-[(5-nitrofuran-2-carbonyl)amino]thiophene-3-carboxylate?
The molecular weight of Ethyl 5-nitro-2-[(5-nitrofuran-2-carbonyl)amino]thiophene-3-carboxylate is 355.01 g/mol.
Where can I buy Ethyl 5-nitro-2-[(5-nitrofuran-2-carbonyl)amino]thiophene-3-carboxylate?
You can request a quote for Ethyl 5-nitro-2-[(5-nitrofuran-2-carbonyl)amino]thiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-nitro-2-[(5-nitrofuran-2-carbonyl)amino]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-nitro-2-[(5-nitrofuran-2-carbonyl)amino]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.