Methyl 5-(acetylamino)-4-(((5-nitro-2-furanyl)methylene)amino)-2-furancarboxylate
TL;DR: Methyl 5-(acetylamino)-4-(((5-nitro-2-furanyl)methylene)amino)-2-furancarboxylate (CAS 31145-91-2) is a chemical compound with molecular formula C13H11N3O7 and molecular weight 321.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-acetamido-4-[(5-nitrofuran-2-yl)methylideneamino]furan-2-carboxylate
Also Known As: Methyl 5-(acetylamino)-4-(((5-nitro-2-furanyl)methylene)amino)-2-furancarboxylate, 2-Furancarboxylic acid, 5-(acetylamino)-4-(((5-nitro-2-furanyl)methylene)amino)-, methyl ester, 2-Furoic acid, 5-acetamido-4-[(5-nitrofurfurylidene)amino]-, methyl ester, methyl 5-acetamido-4-[(5-nitrofuran-2-yl)methylideneamino]furan-2-carboxylate, 2-Furancarboxylic acid, 5-(acetylamino)-4-[[(5-nitro-2-furanyl)methylene]amino]-, methyl ester
| Molecular Formula | C13H11N3O7 |
|---|---|
| Molecular Weight | 321.06 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 140.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 321.0597 |
| Heavy Atoms | 23 |
| Complexity | 504.0 |
Chemical Identifiers
| CAS Number | 31145-91-2 |
|---|---|
| SMILES | CC(=O)NC1=C(C=C(O1)C(=O)OC)N=CC2=CC=C(O2)[N+](=O)[O-] |
| InChIKey | SAGSSJJUUVCZQC-UHFFFAOYSA-N |
Product Overview
Methyl 5-(acetylamino)-4-(((5-nitro-2-furanyl)methylene)amino)-2-furancarboxylate (CAS 31145-91-2), with molecular formula C13H11N3O7 and molecular weight 321.06 g/mol. IUPAC: methyl 5-acetamido-4-[(5-nitrofuran-2-yl)methylideneamino]furan-2-carboxylate.
Chemical Property Profile of Methyl 5-(acetylamino)-4-(((5-nitro-2-furanyl)methylene)amino)-2-furancarboxylate
Property Insights of Methyl 5-(acetylamino)-4-(((5-nitro-2-furanyl)methylene)amino)-2-furancarboxylate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5-(acetylamino)-4-(((5-nitro-2-furanyl)methylene)amino)-2-furancarboxylate. The TPSA of 140.0 Ų indicates high polarity, suggesting Methyl 5-(acetylamino)-4-(((5-nitro-2-furanyl)methylene)amino)-2-furancarboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Methyl 5-(acetylamino)-4-(((5-nitro-2-furanyl)methylene)amino)-2-furancarboxylate 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 Methyl 5-(acetylamino)-4-(((5-nitro-2-furanyl)methylene)amino)-2-furancarboxylate?
The CAS number of Methyl 5-(acetylamino)-4-(((5-nitro-2-furanyl)methylene)amino)-2-furancarboxylate is 31145-91-2.
What is the molecular formula of Methyl 5-(acetylamino)-4-(((5-nitro-2-furanyl)methylene)amino)-2-furancarboxylate?
The molecular formula of Methyl 5-(acetylamino)-4-(((5-nitro-2-furanyl)methylene)amino)-2-furancarboxylate is C13H11N3O7.
What is the molecular weight of Methyl 5-(acetylamino)-4-(((5-nitro-2-furanyl)methylene)amino)-2-furancarboxylate?
The molecular weight of Methyl 5-(acetylamino)-4-(((5-nitro-2-furanyl)methylene)amino)-2-furancarboxylate is 321.06 g/mol.
Where can I buy Methyl 5-(acetylamino)-4-(((5-nitro-2-furanyl)methylene)amino)-2-furancarboxylate?
You can request a quote for Methyl 5-(acetylamino)-4-(((5-nitro-2-furanyl)methylene)amino)-2-furancarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-(acetylamino)-4-(((5-nitro-2-furanyl)methylene)amino)-2-furancarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-(acetylamino)-4-(((5-nitro-2-furanyl)methylene)amino)-2-furancarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.