![N-[3-(4-methylphenyl)-4-oxo-4H-thiochromen-2-yl]-4-nitrobenzamide structure](/static/products/879/879475-95-3.png)
N-[3-(4-methylphenyl)-4-oxo-4H-thiochromen-2-yl]-4-nitrobenzamide
TL;DR: N-[3-(4-methylphenyl)-4-oxo-4H-thiochromen-2-yl]-4-nitrobenzamide (CAS 879475-95-3) is a chemical compound with molecular formula C23H16N2O4S and molecular weight 416.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(4-methylphenyl)-4-oxothiochromen-2-yl]-4-nitrobenzamide
Also Known As: N-[3-(4-methylphenyl)-4-oxothiochromen-2-yl]-4-nitrobenzamide, 4-nitro-N-(4-oxo-3-(p-tolyl)-4H-thiochromen-2-yl)benzamide, N-[3-(4-methylphenyl)-4-oxo-4H-thiochromen-2-yl]-4-nitrobenzamide, N-[3-(4-methylphenyl)-4-oxo-thiochromen-2-yl]-4-nitro-benzamide
| Molecular Formula | C23H16N2O4S |
|---|---|
| Molecular Weight | 416.08 g/mol |
| LogP | 5.39742 |
| Topological Polar Surface Area | 89.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 416.08307 |
| Heavy Atoms | 30 |
| Complexity | 1326.4208 |
Chemical Identifiers
| CAS Number | 879475-95-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=C(SC3=CC=CC=C3C2=O)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
N-[3-(4-methylphenyl)-4-oxo-4H-thiochromen-2-yl]-4-nitrobenzamide (CAS 879475-95-3), with molecular formula C23H16N2O4S and molecular weight 416.08 g/mol. IUPAC: N-[3-(4-methylphenyl)-4-oxothiochromen-2-yl]-4-nitrobenzamide.
Chemical Property Profile of N-[3-(4-methylphenyl)-4-oxo-4H-thiochromen-2-yl]-4-nitrobenzamide
Property Insights of N-[3-(4-methylphenyl)-4-oxo-4H-thiochromen-2-yl]-4-nitrobenzamide
The XLogP value of 5.39742 indicates that N-[3-(4-methylphenyl)-4-oxo-4H-thiochromen-2-yl]-4-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.31 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[3-(4-methylphenyl)-4-oxo-4H-thiochromen-2-yl]-4-nitrobenzamide. Following Lipinski's Rule of Five, N-[3-(4-methylphenyl)-4-oxo-4H-thiochromen-2-yl]-4-nitrobenzamide has 1 hydrogen bond donor(s) and 5 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-(4-methylphenyl)-4-oxo-4H-thiochromen-2-yl]-4-nitrobenzamide?
The CAS number of N-[3-(4-methylphenyl)-4-oxo-4H-thiochromen-2-yl]-4-nitrobenzamide is 879475-95-3.
What is the molecular formula of N-[3-(4-methylphenyl)-4-oxo-4H-thiochromen-2-yl]-4-nitrobenzamide?
The molecular formula of N-[3-(4-methylphenyl)-4-oxo-4H-thiochromen-2-yl]-4-nitrobenzamide is C23H16N2O4S.
What is the molecular weight of N-[3-(4-methylphenyl)-4-oxo-4H-thiochromen-2-yl]-4-nitrobenzamide?
The molecular weight of N-[3-(4-methylphenyl)-4-oxo-4H-thiochromen-2-yl]-4-nitrobenzamide is 416.08 g/mol.
Where can I buy N-[3-(4-methylphenyl)-4-oxo-4H-thiochromen-2-yl]-4-nitrobenzamide?
You can request a quote for N-[3-(4-methylphenyl)-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-(4-methylphenyl)-4-oxo-4H-thiochromen-2-yl]-4-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[3-(4-methylphenyl)-4-oxo-4H-thiochromen-2-yl]-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.