N-(3-(naphthalen-1-yl)-4-oxo-4H-thiochromen-2-yl)-3-nitrobenzamide
TL;DR: N-(3-(naphthalen-1-yl)-4-oxo-4H-thiochromen-2-yl)-3-nitrobenzamide (CAS 883967-20-2) is a chemical compound with molecular formula C26H16N2O4S and molecular weight 452.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-naphthalen-1-yl-4-oxothiochromen-2-yl)-3-nitrobenzamide
Also Known As: N-(3-naphthalen-1-yl-4-oxothiochromen-2-yl)-3-nitrobenzamide, N-(3-naphthalen-1-yl-4-oxo-thiochromen-2-yl)-3-nitro-benzamide, N-(3-(naphthalen-1-yl)-4-oxo-4H-thiochromen-2-yl)-3-nitrobenzamide, N-[3-(naphthalen-1-yl)-4-oxo-4H-thiochromen-2-yl]-3-nitrobenzamide
| Molecular Formula | C26H16N2O4S |
|---|---|
| Molecular Weight | 452.08 g/mol |
| LogP | 6.2422 |
| Topological Polar Surface Area | 89.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 452.08307 |
| Heavy Atoms | 33 |
| Complexity | 1619.1779 |
Chemical Identifiers
| CAS Number | 883967-20-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC=C2C3=C(SC4=CC=CC=C4C3=O)NC(=O)C5=CC(=CC=C5)[N+](=O)[O-] |
Product Overview
N-(3-(naphthalen-1-yl)-4-oxo-4H-thiochromen-2-yl)-3-nitrobenzamide (CAS 883967-20-2), with molecular formula C26H16N2O4S and molecular weight 452.08 g/mol. IUPAC: N-(3-naphthalen-1-yl-4-oxothiochromen-2-yl)-3-nitrobenzamide.
Chemical Property Profile of N-(3-(naphthalen-1-yl)-4-oxo-4H-thiochromen-2-yl)-3-nitrobenzamide
Property Insights of N-(3-(naphthalen-1-yl)-4-oxo-4H-thiochromen-2-yl)-3-nitrobenzamide
The XLogP value of 6.2422 indicates that N-(3-(naphthalen-1-yl)-4-oxo-4H-thiochromen-2-yl)-3-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-(naphthalen-1-yl)-4-oxo-4H-thiochromen-2-yl)-3-nitrobenzamide. Following Lipinski's Rule of Five, N-(3-(naphthalen-1-yl)-4-oxo-4H-thiochromen-2-yl)-3-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-(naphthalen-1-yl)-4-oxo-4H-thiochromen-2-yl)-3-nitrobenzamide?
The CAS number of N-(3-(naphthalen-1-yl)-4-oxo-4H-thiochromen-2-yl)-3-nitrobenzamide is 883967-20-2.
What is the molecular formula of N-(3-(naphthalen-1-yl)-4-oxo-4H-thiochromen-2-yl)-3-nitrobenzamide?
The molecular formula of N-(3-(naphthalen-1-yl)-4-oxo-4H-thiochromen-2-yl)-3-nitrobenzamide is C26H16N2O4S.
What is the molecular weight of N-(3-(naphthalen-1-yl)-4-oxo-4H-thiochromen-2-yl)-3-nitrobenzamide?
The molecular weight of N-(3-(naphthalen-1-yl)-4-oxo-4H-thiochromen-2-yl)-3-nitrobenzamide is 452.08 g/mol.
Where can I buy N-(3-(naphthalen-1-yl)-4-oxo-4H-thiochromen-2-yl)-3-nitrobenzamide?
You can request a quote for N-(3-(naphthalen-1-yl)-4-oxo-4H-thiochromen-2-yl)-3-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-(naphthalen-1-yl)-4-oxo-4H-thiochromen-2-yl)-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-(naphthalen-1-yl)-4-oxo-4H-thiochromen-2-yl)-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.