Hexyl 5-(acetylamino)-4-(((5-nitro-2-furanyl)methylene)amino)-2-furancarboxylate
TL;DR: Hexyl 5-(acetylamino)-4-(((5-nitro-2-furanyl)methylene)amino)-2-furancarboxylate (CAS 31136-67-1) is a chemical compound with molecular formula C18H21N3O7 and molecular weight 391.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexyl 5-acetamido-4-[(5-nitrofuran-2-yl)methylideneamino]furan-2-carboxylate
Also Known As: Trimethyl phosphonoformate, Hexyl 5-(acetylamino)-4-(((5-nitro-2-furanyl)methylene)amino)-2-furancarboxylate, 2-Furancarboxylic acid, 5-(acetylamino)-4-(((5-nitro-2-furanyl)methylene)amino)-, hexyl ester, 2-Furoic acid, 5-acetamido-4-[(5-nitrofurfurylidene)amino]-, hexyl ester, hexyl 5-acetamido-4-[(5-nitrofuran-2-yl)methylideneamino]furan-2-carboxylate
| Molecular Formula | C18H21N3O7 |
|---|---|
| Molecular Weight | 391.14 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 140.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 391.13794 |
| Heavy Atoms | 28 |
| Complexity | 578.0 |
Chemical Identifiers
| CAS Number | 31136-67-1 |
|---|---|
| SMILES | CCCCCCOC(=O)C1=CC(=C(O1)NC(=O)C)N=CC2=CC=C(O2)[N+](=O)[O-] |
| InChIKey | OJZLOEDTKKHMCA-UHFFFAOYSA-N |
Product Overview
Hexyl 5-(acetylamino)-4-(((5-nitro-2-furanyl)methylene)amino)-2-furancarboxylate (CAS 31136-67-1), with molecular formula C18H21N3O7 and molecular weight 391.14 g/mol. IUPAC: hexyl 5-acetamido-4-[(5-nitrofuran-2-yl)methylideneamino]furan-2-carboxylate.
Chemical Property Profile of Hexyl 5-(acetylamino)-4-(((5-nitro-2-furanyl)methylene)amino)-2-furancarboxylate
Property Insights of Hexyl 5-(acetylamino)-4-(((5-nitro-2-furanyl)methylene)amino)-2-furancarboxylate
The XLogP value of 3.9 indicates that Hexyl 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 Hexyl 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, Hexyl 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 Hexyl 5-(acetylamino)-4-(((5-nitro-2-furanyl)methylene)amino)-2-furancarboxylate?
The CAS number of Hexyl 5-(acetylamino)-4-(((5-nitro-2-furanyl)methylene)amino)-2-furancarboxylate is 31136-67-1.
What is the molecular formula of Hexyl 5-(acetylamino)-4-(((5-nitro-2-furanyl)methylene)amino)-2-furancarboxylate?
The molecular formula of Hexyl 5-(acetylamino)-4-(((5-nitro-2-furanyl)methylene)amino)-2-furancarboxylate is C18H21N3O7.
What is the molecular weight of Hexyl 5-(acetylamino)-4-(((5-nitro-2-furanyl)methylene)amino)-2-furancarboxylate?
The molecular weight of Hexyl 5-(acetylamino)-4-(((5-nitro-2-furanyl)methylene)amino)-2-furancarboxylate is 391.14 g/mol.
Where can I buy Hexyl 5-(acetylamino)-4-(((5-nitro-2-furanyl)methylene)amino)-2-furancarboxylate?
You can request a quote for Hexyl 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 Hexyl 5-(acetylamino)-4-(((5-nitro-2-furanyl)methylene)amino)-2-furancarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Hexyl 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.