N-butyl-8-methoxy-N-methyl-6-nitro-2-oxo-2H-chromene-3-carboxamide
TL;DR: N-butyl-8-methoxy-N-methyl-6-nitro-2-oxo-2H-chromene-3-carboxamide (CAS 868214-89-5) is a chemical compound with molecular formula C16H18N2O6 and molecular weight 334.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butyl-8-methoxy-N-methyl-6-nitro-2-oxochromene-3-carboxamide
Also Known As: N-butyl-8-methoxy-N-methyl-6-nitro-2-oxo-2H-chromene-3-carboxamide, AB00593605-06, F1799-0060, N-butyl-8-methoxy-N-methyl-6-nitro-2-oxochromene-3-carboxamide, N-butyl(8-methoxy-6-nitro-2-oxochromen-3-yl)-N-methylcarboxamide
| Molecular Formula | C16H18N2O6 |
|---|---|
| Molecular Weight | 334.12 g/mol |
| LogP | 2.5819 |
| Topological Polar Surface Area | 102.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 334.1165 |
| Heavy Atoms | 24 |
| Complexity | 842.3119 |
Chemical Identifiers
| CAS Number | 868214-89-5 |
|---|---|
| SMILES | CCCCN(C)C(=O)C1=CC2=CC(=CC(=C2OC1=O)OC)[N+](=O)[O-] |
Product Overview
N-butyl-8-methoxy-N-methyl-6-nitro-2-oxo-2H-chromene-3-carboxamide (CAS 868214-89-5), with molecular formula C16H18N2O6 and molecular weight 334.12 g/mol. IUPAC: N-butyl-8-methoxy-N-methyl-6-nitro-2-oxochromene-3-carboxamide.
Chemical Property Profile of N-butyl-8-methoxy-N-methyl-6-nitro-2-oxo-2H-chromene-3-carboxamide
Property Insights of N-butyl-8-methoxy-N-methyl-6-nitro-2-oxo-2H-chromene-3-carboxamide
The XLogP value of 2.5819 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-butyl-8-methoxy-N-methyl-6-nitro-2-oxo-2H-chromene-3-carboxamide. The TPSA of 102.89 Ų falls within the moderate polarity range, balancing permeability and solubility for N-butyl-8-methoxy-N-methyl-6-nitro-2-oxo-2H-chromene-3-carboxamide. Following Lipinski's Rule of Five, N-butyl-8-methoxy-N-methyl-6-nitro-2-oxo-2H-chromene-3-carboxamide has 0 hydrogen bond donor(s) and 6 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 N-butyl-8-methoxy-N-methyl-6-nitro-2-oxo-2H-chromene-3-carboxamide?
The CAS number of N-butyl-8-methoxy-N-methyl-6-nitro-2-oxo-2H-chromene-3-carboxamide is 868214-89-5.
What is the molecular formula of N-butyl-8-methoxy-N-methyl-6-nitro-2-oxo-2H-chromene-3-carboxamide?
The molecular formula of N-butyl-8-methoxy-N-methyl-6-nitro-2-oxo-2H-chromene-3-carboxamide is C16H18N2O6.
What is the molecular weight of N-butyl-8-methoxy-N-methyl-6-nitro-2-oxo-2H-chromene-3-carboxamide?
The molecular weight of N-butyl-8-methoxy-N-methyl-6-nitro-2-oxo-2H-chromene-3-carboxamide is 334.12 g/mol.
Where can I buy N-butyl-8-methoxy-N-methyl-6-nitro-2-oxo-2H-chromene-3-carboxamide?
You can request a quote for N-butyl-8-methoxy-N-methyl-6-nitro-2-oxo-2H-chromene-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-butyl-8-methoxy-N-methyl-6-nitro-2-oxo-2H-chromene-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-butyl-8-methoxy-N-methyl-6-nitro-2-oxo-2H-chromene-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.