N-(6-nitro-1,3-benzodioxol-5-yl)-2-oxochromene-3-carboxamide
TL;DR: N-(6-nitro-1,3-benzodioxol-5-yl)-2-oxochromene-3-carboxamide (CAS 833445-57-1) is a chemical compound with molecular formula C17H10N2O7 and molecular weight 354.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(6-nitro-1,3-benzodioxol-5-yl)-2-oxochromene-3-carboxamide
Also Known As: VU0508029-1, F3055-0790, N-(6-nitro-2H-1,3-benzodioxol-5-yl)-2-oxo-2H-chromene-3-carboxamide, N-(6-nitro-1,3-benzodioxol-5-yl)-2-oxochromene-3-carboxamide, N-(6-nitro-2H-1,3-benzodioxol-5-yl)-3-coumarincarboxamide
| Molecular Formula | C17H10N2O7 |
|---|---|
| Molecular Weight | 354.05 g/mol |
| LogP | 2.6822 |
| Topological Polar Surface Area | 120.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 354.0488 |
| Heavy Atoms | 26 |
| Complexity | 1119.7848 |
Chemical Identifiers
| CAS Number | 833445-57-1 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C(=C2)NC(=O)C3=CC4=CC=CC=C4OC3=O)[N+](=O)[O-] |
Product Overview
N-(6-nitro-1,3-benzodioxol-5-yl)-2-oxochromene-3-carboxamide (CAS 833445-57-1), with molecular formula C17H10N2O7 and molecular weight 354.05 g/mol. IUPAC: N-(6-nitro-1,3-benzodioxol-5-yl)-2-oxochromene-3-carboxamide.
Chemical Property Profile of N-(6-nitro-1,3-benzodioxol-5-yl)-2-oxochromene-3-carboxamide
Property Insights of N-(6-nitro-1,3-benzodioxol-5-yl)-2-oxochromene-3-carboxamide
The XLogP value of 2.6822 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(6-nitro-1,3-benzodioxol-5-yl)-2-oxochromene-3-carboxamide. The TPSA of 120.91 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(6-nitro-1,3-benzodioxol-5-yl)-2-oxochromene-3-carboxamide. Following Lipinski's Rule of Five, N-(6-nitro-1,3-benzodioxol-5-yl)-2-oxochromene-3-carboxamide has 1 hydrogen bond donor(s) and 7 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-(6-nitro-1,3-benzodioxol-5-yl)-2-oxochromene-3-carboxamide?
The CAS number of N-(6-nitro-1,3-benzodioxol-5-yl)-2-oxochromene-3-carboxamide is 833445-57-1.
What is the molecular formula of N-(6-nitro-1,3-benzodioxol-5-yl)-2-oxochromene-3-carboxamide?
The molecular formula of N-(6-nitro-1,3-benzodioxol-5-yl)-2-oxochromene-3-carboxamide is C17H10N2O7.
What is the molecular weight of N-(6-nitro-1,3-benzodioxol-5-yl)-2-oxochromene-3-carboxamide?
The molecular weight of N-(6-nitro-1,3-benzodioxol-5-yl)-2-oxochromene-3-carboxamide is 354.05 g/mol.
Where can I buy N-(6-nitro-1,3-benzodioxol-5-yl)-2-oxochromene-3-carboxamide?
You can request a quote for N-(6-nitro-1,3-benzodioxol-5-yl)-2-oxochromene-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-(6-nitro-1,3-benzodioxol-5-yl)-2-oxochromene-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(6-nitro-1,3-benzodioxol-5-yl)-2-oxochromene-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.