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N-(benzo[d][1,3]dioxol-5-ylmethyl)-6-nitro-2-oxo-2H-chromene-3-carboxamide
TL;DR: N-(benzo[d][1,3]dioxol-5-ylmethyl)-6-nitro-2-oxo-2H-chromene-3-carboxamide (CAS 681479-64-1) is a chemical compound with molecular formula C18H12N2O7 and molecular weight 368.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-6-nitro-2-oxochromene-3-carboxamide
Also Known As: F1053-0500, N-(benzo[d][1,3]dioxol-5-ylmethyl)-6-nitro-2-oxo-2H-chromene-3-carboxamide, N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-nitro-2-oxo-2H-chromene-3-carboxamide, N-(1,3-benzodioxol-5-ylmethyl)-6-nitro-2-oxochromene-3-carboxamide, N-(2H-benzo[3,4-d]1,3-dioxolan-5-ylmethyl)(6-nitro-2-oxochromen-3-yl)carboxami de
| Molecular Formula | C18H12N2O7 |
|---|---|
| Molecular Weight | 368.06 g/mol |
| LogP | 2.3599 |
| Topological Polar Surface Area | 120.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 368.06445 |
| Heavy Atoms | 27 |
| Complexity | 1136.2485 |
Chemical Identifiers
| CAS Number | 681479-64-1 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC4=C(C=CC(=C4)[N+](=O)[O-])OC3=O |
Product Overview
N-(benzo[d][1,3]dioxol-5-ylmethyl)-6-nitro-2-oxo-2H-chromene-3-carboxamide (CAS 681479-64-1), with molecular formula C18H12N2O7 and molecular weight 368.06 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-6-nitro-2-oxochromene-3-carboxamide.
Chemical Property Profile of N-(benzo[d][1,3]dioxol-5-ylmethyl)-6-nitro-2-oxo-2H-chromene-3-carboxamide
Property Insights of N-(benzo[d][1,3]dioxol-5-ylmethyl)-6-nitro-2-oxo-2H-chromene-3-carboxamide
The XLogP value of 2.3599 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(benzo[d][1,3]dioxol-5-ylmethyl)-6-nitro-2-oxo-2H-chromene-3-carboxamide. The TPSA of 120.91 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(benzo[d][1,3]dioxol-5-ylmethyl)-6-nitro-2-oxo-2H-chromene-3-carboxamide. Following Lipinski's Rule of Five, N-(benzo[d][1,3]dioxol-5-ylmethyl)-6-nitro-2-oxo-2H-chromene-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-(benzo[d][1,3]dioxol-5-ylmethyl)-6-nitro-2-oxo-2H-chromene-3-carboxamide?
The CAS number of N-(benzo[d][1,3]dioxol-5-ylmethyl)-6-nitro-2-oxo-2H-chromene-3-carboxamide is 681479-64-1.
What is the molecular formula of N-(benzo[d][1,3]dioxol-5-ylmethyl)-6-nitro-2-oxo-2H-chromene-3-carboxamide?
The molecular formula of N-(benzo[d][1,3]dioxol-5-ylmethyl)-6-nitro-2-oxo-2H-chromene-3-carboxamide is C18H12N2O7.
What is the molecular weight of N-(benzo[d][1,3]dioxol-5-ylmethyl)-6-nitro-2-oxo-2H-chromene-3-carboxamide?
The molecular weight of N-(benzo[d][1,3]dioxol-5-ylmethyl)-6-nitro-2-oxo-2H-chromene-3-carboxamide is 368.06 g/mol.
Where can I buy N-(benzo[d][1,3]dioxol-5-ylmethyl)-6-nitro-2-oxo-2H-chromene-3-carboxamide?
You can request a quote for N-(benzo[d][1,3]dioxol-5-ylmethyl)-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-(benzo[d][1,3]dioxol-5-ylmethyl)-6-nitro-2-oxo-2H-chromene-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(benzo[d][1,3]dioxol-5-ylmethyl)-6-nitro-2-oxo-2H-chromene-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.