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Dimethyl 5-[(5-nitrofuran-2-carbonyl)amino]benzene-1,3-dicarboxylate
TL;DR: Dimethyl 5-[(5-nitrofuran-2-carbonyl)amino]benzene-1,3-dicarboxylate (CAS 5348-81-2) is a chemical compound with molecular formula C15H12N2O8 and molecular weight 348.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[(5-nitrofuran-2-carbonyl)amino]benzene-1,3-dicarboxylate
Also Known As: dimethyl 5-[(5-nitro-2-furoyl)amino]isophthalate, dimethyl 5-[(5-nitrofuran-2-carbonyl)amino]benzene-1,3-dicarboxylate, Dimethyl 5-(5-nitrofuran-2-carboxamido)isophthalate, Dimethyl 5-(5-nitrofuran-2-carboxamido)benzene-1,3-dicarboxylate, 1,3-DIMETHYL 5-(5-NITROFURAN-2-AMIDO)BENZENE-1,3-DICARBOXYLATE
| Molecular Formula | C15H12N2O8 |
|---|---|
| Molecular Weight | 348.06 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 348.05936 |
| Heavy Atoms | 25 |
| Complexity | 522.0 |
Chemical Identifiers
| CAS Number | 5348-81-2 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)NC(=O)C2=CC=C(O2)[N+](=O)[O-])C(=O)OC |
| InChIKey | BQLKSUUIGAYUOB-UHFFFAOYSA-N |
Product Overview
Dimethyl 5-[(5-nitrofuran-2-carbonyl)amino]benzene-1,3-dicarboxylate (CAS 5348-81-2), with molecular formula C15H12N2O8 and molecular weight 348.06 g/mol. IUPAC: dimethyl 5-[(5-nitrofuran-2-carbonyl)amino]benzene-1,3-dicarboxylate.
Chemical Property Profile of Dimethyl 5-[(5-nitrofuran-2-carbonyl)amino]benzene-1,3-dicarboxylate
Property Insights of Dimethyl 5-[(5-nitrofuran-2-carbonyl)amino]benzene-1,3-dicarboxylate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 5-[(5-nitrofuran-2-carbonyl)amino]benzene-1,3-dicarboxylate. The TPSA of 141.0 Ų indicates high polarity, suggesting Dimethyl 5-[(5-nitrofuran-2-carbonyl)amino]benzene-1,3-dicarboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dimethyl 5-[(5-nitrofuran-2-carbonyl)amino]benzene-1,3-dicarboxylate has 1 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 Dimethyl 5-[(5-nitrofuran-2-carbonyl)amino]benzene-1,3-dicarboxylate?
The CAS number of Dimethyl 5-[(5-nitrofuran-2-carbonyl)amino]benzene-1,3-dicarboxylate is 5348-81-2.
What is the molecular formula of Dimethyl 5-[(5-nitrofuran-2-carbonyl)amino]benzene-1,3-dicarboxylate?
The molecular formula of Dimethyl 5-[(5-nitrofuran-2-carbonyl)amino]benzene-1,3-dicarboxylate is C15H12N2O8.
What is the molecular weight of Dimethyl 5-[(5-nitrofuran-2-carbonyl)amino]benzene-1,3-dicarboxylate?
The molecular weight of Dimethyl 5-[(5-nitrofuran-2-carbonyl)amino]benzene-1,3-dicarboxylate is 348.06 g/mol.
Where can I buy Dimethyl 5-[(5-nitrofuran-2-carbonyl)amino]benzene-1,3-dicarboxylate?
You can request a quote for Dimethyl 5-[(5-nitrofuran-2-carbonyl)amino]benzene-1,3-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 5-[(5-nitrofuran-2-carbonyl)amino]benzene-1,3-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 5-[(5-nitrofuran-2-carbonyl)amino]benzene-1,3-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.