N-(3-(3,4-dimethoxyphenyl)-4-oxo-4H-thiochromen-2-yl)-4-nitrobenzamide
TL;DR: N-(3-(3,4-dimethoxyphenyl)-4-oxo-4H-thiochromen-2-yl)-4-nitrobenzamide (CAS 879474-69-8) is a chemical compound with molecular formula C24H18N2O6S and molecular weight 462.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(3,4-dimethoxyphenyl)-4-oxothiochromen-2-yl]-4-nitrobenzamide
Also Known As: N-(3-(3,4-dimethoxyphenyl)-4-oxo-4H-thiochromen-2-yl)-4-nitrobenzamide, N-[3-(3,4-dimethoxyphenyl)-4-oxo-4H-thiochromen-2-yl]-4-nitrobenzamide, N-[3-(3,4-dimethoxyphenyl)-4-oxo-thiochromen-2-yl]-4-nitro-benzamide, N-[3-(3,4-dimethoxyphenyl)-4-oxothiochromen-2-yl]-4-nitrobenzamide
| Molecular Formula | C24H18N2O6S |
|---|---|
| Molecular Weight | 462.09 g/mol |
| LogP | 5.1062 |
| Topological Polar Surface Area | 107.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 462.08856 |
| Heavy Atoms | 33 |
| Complexity | 1429.5916 |
Chemical Identifiers
| CAS Number | 879474-69-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=C(SC3=CC=CC=C3C2=O)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-])OC |
Product Overview
N-(3-(3,4-dimethoxyphenyl)-4-oxo-4H-thiochromen-2-yl)-4-nitrobenzamide (CAS 879474-69-8), with molecular formula C24H18N2O6S and molecular weight 462.09 g/mol. IUPAC: N-[3-(3,4-dimethoxyphenyl)-4-oxothiochromen-2-yl]-4-nitrobenzamide.
Chemical Property Profile of N-(3-(3,4-dimethoxyphenyl)-4-oxo-4H-thiochromen-2-yl)-4-nitrobenzamide
Property Insights of N-(3-(3,4-dimethoxyphenyl)-4-oxo-4H-thiochromen-2-yl)-4-nitrobenzamide
The XLogP value of 5.1062 indicates that N-(3-(3,4-dimethoxyphenyl)-4-oxo-4H-thiochromen-2-yl)-4-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.77 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-(3,4-dimethoxyphenyl)-4-oxo-4H-thiochromen-2-yl)-4-nitrobenzamide. Following Lipinski's Rule of Five, N-(3-(3,4-dimethoxyphenyl)-4-oxo-4H-thiochromen-2-yl)-4-nitrobenzamide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(3-(3,4-dimethoxyphenyl)-4-oxo-4H-thiochromen-2-yl)-4-nitrobenzamide?
The CAS number of N-(3-(3,4-dimethoxyphenyl)-4-oxo-4H-thiochromen-2-yl)-4-nitrobenzamide is 879474-69-8.
What is the molecular formula of N-(3-(3,4-dimethoxyphenyl)-4-oxo-4H-thiochromen-2-yl)-4-nitrobenzamide?
The molecular formula of N-(3-(3,4-dimethoxyphenyl)-4-oxo-4H-thiochromen-2-yl)-4-nitrobenzamide is C24H18N2O6S.
What is the molecular weight of N-(3-(3,4-dimethoxyphenyl)-4-oxo-4H-thiochromen-2-yl)-4-nitrobenzamide?
The molecular weight of N-(3-(3,4-dimethoxyphenyl)-4-oxo-4H-thiochromen-2-yl)-4-nitrobenzamide is 462.09 g/mol.
Where can I buy N-(3-(3,4-dimethoxyphenyl)-4-oxo-4H-thiochromen-2-yl)-4-nitrobenzamide?
You can request a quote for N-(3-(3,4-dimethoxyphenyl)-4-oxo-4H-thiochromen-2-yl)-4-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-(3,4-dimethoxyphenyl)-4-oxo-4H-thiochromen-2-yl)-4-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-(3,4-dimethoxyphenyl)-4-oxo-4H-thiochromen-2-yl)-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.