Octyl 5-(acetylamino)-4-(((5-nitro-2-furanyl)methylene)amino)-2-furancarboxylate
TL;DR: Octyl 5-(acetylamino)-4-(((5-nitro-2-furanyl)methylene)amino)-2-furancarboxylate (CAS 41752-49-2) is a chemical compound with molecular formula C20H25N3O7 and molecular weight 419.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octyl 5-acetamido-4-[(5-nitrofuran-2-yl)methylideneamino]furan-2-carboxylate
Also Known As: Octyl 5-(acetylamino)-4-(((5-nitro-2-furanyl)methylene)amino)-2-furancarboxylate, 2-Furancarboxylic acid, 5-(acetylamino)-4-(((5-nitro-2-furanyl)methylene)amino)-, octyl ester, octyl 5-acetamido-4-[(5-nitrofuran-2-yl)methylideneamino]furan-2-carboxylate, 2-Furancarboxylic acid, 5-(acetylamino)-4-[[(5-nitro-2-furanyl)methylene]amino]-, octyl ester
| Molecular Formula | C20H25N3O7 |
|---|---|
| Molecular Weight | 419.17 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 140.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 419.16925 |
| Heavy Atoms | 30 |
| Complexity | 608.0 |
Chemical Identifiers
| CAS Number | 41752-49-2 |
|---|---|
| SMILES | CCCCCCCCOC(=O)C1=CC(=C(O1)NC(=O)C)N=CC2=CC=C(O2)[N+](=O)[O-] |
| InChIKey | AVJZWTIWPPHJFG-UHFFFAOYSA-N |
Product Overview
Octyl 5-(acetylamino)-4-(((5-nitro-2-furanyl)methylene)amino)-2-furancarboxylate (CAS 41752-49-2), with molecular formula C20H25N3O7 and molecular weight 419.17 g/mol. IUPAC: octyl 5-acetamido-4-[(5-nitrofuran-2-yl)methylideneamino]furan-2-carboxylate.
Chemical Property Profile of Octyl 5-(acetylamino)-4-(((5-nitro-2-furanyl)methylene)amino)-2-furancarboxylate
Property Insights of Octyl 5-(acetylamino)-4-(((5-nitro-2-furanyl)methylene)amino)-2-furancarboxylate
The XLogP value of 5.0 indicates that Octyl 5-(acetylamino)-4-(((5-nitro-2-furanyl)methylene)amino)-2-furancarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 140.0 Ų indicates high polarity, suggesting Octyl 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, Octyl 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 Octyl 5-(acetylamino)-4-(((5-nitro-2-furanyl)methylene)amino)-2-furancarboxylate?
The CAS number of Octyl 5-(acetylamino)-4-(((5-nitro-2-furanyl)methylene)amino)-2-furancarboxylate is 41752-49-2.
What is the molecular formula of Octyl 5-(acetylamino)-4-(((5-nitro-2-furanyl)methylene)amino)-2-furancarboxylate?
The molecular formula of Octyl 5-(acetylamino)-4-(((5-nitro-2-furanyl)methylene)amino)-2-furancarboxylate is C20H25N3O7.
What is the molecular weight of Octyl 5-(acetylamino)-4-(((5-nitro-2-furanyl)methylene)amino)-2-furancarboxylate?
The molecular weight of Octyl 5-(acetylamino)-4-(((5-nitro-2-furanyl)methylene)amino)-2-furancarboxylate is 419.17 g/mol.
Where can I buy Octyl 5-(acetylamino)-4-(((5-nitro-2-furanyl)methylene)amino)-2-furancarboxylate?
You can request a quote for Octyl 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 Octyl 5-(acetylamino)-4-(((5-nitro-2-furanyl)methylene)amino)-2-furancarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Octyl 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.