N-benzyl-6-nitro-2-oxo-2H-chromene-3-carboxamide
TL;DR: N-benzyl-6-nitro-2-oxo-2H-chromene-3-carboxamide (CAS 83090-98-6) is a chemical compound with molecular formula C17H12N2O5 and molecular weight 324.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-6-nitro-2-oxochromene-3-carboxamide
Also Known As: BAS 01019400, N-benzyl-6-nitro-2-oxo-2H-chromene-3-carboxamide, N-benzyl-6-nitro-2-oxochromene-3-carboxamide, 6-Nitro-2-oxo-2H-chromene-3-carboxylic acid benzylamide
| Molecular Formula | C17H12N2O5 |
|---|---|
| Molecular Weight | 324.07 g/mol |
| LogP | 2.6312 |
| Topological Polar Surface Area | 102.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 324.07462 |
| Heavy Atoms | 24 |
| Complexity | 979.1875 |
Chemical Identifiers
| CAS Number | 83090-98-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=CC(=C3)[N+](=O)[O-])OC2=O |
Product Overview
N-benzyl-6-nitro-2-oxo-2H-chromene-3-carboxamide (CAS 83090-98-6), with molecular formula C17H12N2O5 and molecular weight 324.07 g/mol. IUPAC: N-benzyl-6-nitro-2-oxochromene-3-carboxamide.
Chemical Property Profile of N-benzyl-6-nitro-2-oxo-2H-chromene-3-carboxamide
Property Insights of N-benzyl-6-nitro-2-oxo-2H-chromene-3-carboxamide
The XLogP value of 2.6312 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-benzyl-6-nitro-2-oxo-2H-chromene-3-carboxamide. The TPSA of 102.45 Ų falls within the moderate polarity range, balancing permeability and solubility for N-benzyl-6-nitro-2-oxo-2H-chromene-3-carboxamide. Following Lipinski's Rule of Five, N-benzyl-6-nitro-2-oxo-2H-chromene-3-carboxamide has 1 hydrogen bond donor(s) and 5 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-benzyl-6-nitro-2-oxo-2H-chromene-3-carboxamide?
The CAS number of N-benzyl-6-nitro-2-oxo-2H-chromene-3-carboxamide is 83090-98-6.
What is the molecular formula of N-benzyl-6-nitro-2-oxo-2H-chromene-3-carboxamide?
The molecular formula of N-benzyl-6-nitro-2-oxo-2H-chromene-3-carboxamide is C17H12N2O5.
What is the molecular weight of N-benzyl-6-nitro-2-oxo-2H-chromene-3-carboxamide?
The molecular weight of N-benzyl-6-nitro-2-oxo-2H-chromene-3-carboxamide is 324.07 g/mol.
Where can I buy N-benzyl-6-nitro-2-oxo-2H-chromene-3-carboxamide?
You can request a quote for N-benzyl-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-benzyl-6-nitro-2-oxo-2H-chromene-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-6-nitro-2-oxo-2H-chromene-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.