4-nitro-N-(4-oxo-3-phenyl-4H-thiochromen-2-yl)benzamide
TL;DR: 4-nitro-N-(4-oxo-3-phenyl-4H-thiochromen-2-yl)benzamide (CAS 879448-39-2) is a chemical compound with molecular formula C22H14N2O4S and molecular weight 402.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-N-(4-oxo-3-phenylthiochromen-2-yl)benzamide
Also Known As: 4-nitro-N-(4-oxo-3-phenyl-4H-thiochromen-2-yl)benzamide, 4-nitro-N-(4-oxo-3-phenylthiochromen-2-yl)benzamide
| Molecular Formula | C22H14N2O4S |
|---|---|
| Molecular Weight | 402.07 g/mol |
| LogP | 5.089 |
| Topological Polar Surface Area | 89.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 402.0674 |
| Heavy Atoms | 29 |
| Complexity | 1281.9576 |
Chemical Identifiers
| CAS Number | 879448-39-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(SC3=CC=CC=C3C2=O)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
4-nitro-N-(4-oxo-3-phenyl-4H-thiochromen-2-yl)benzamide (CAS 879448-39-2), with molecular formula C22H14N2O4S and molecular weight 402.07 g/mol. IUPAC: 4-nitro-N-(4-oxo-3-phenylthiochromen-2-yl)benzamide.
Chemical Property Profile of 4-nitro-N-(4-oxo-3-phenyl-4H-thiochromen-2-yl)benzamide
Property Insights of 4-nitro-N-(4-oxo-3-phenyl-4H-thiochromen-2-yl)benzamide
The XLogP value of 5.089 indicates that 4-nitro-N-(4-oxo-3-phenyl-4H-thiochromen-2-yl)benzamide 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 4-nitro-N-(4-oxo-3-phenyl-4H-thiochromen-2-yl)benzamide. Following Lipinski's Rule of Five, 4-nitro-N-(4-oxo-3-phenyl-4H-thiochromen-2-yl)benzamide 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 4-nitro-N-(4-oxo-3-phenyl-4H-thiochromen-2-yl)benzamide?
The CAS number of 4-nitro-N-(4-oxo-3-phenyl-4H-thiochromen-2-yl)benzamide is 879448-39-2.
What is the molecular formula of 4-nitro-N-(4-oxo-3-phenyl-4H-thiochromen-2-yl)benzamide?
The molecular formula of 4-nitro-N-(4-oxo-3-phenyl-4H-thiochromen-2-yl)benzamide is C22H14N2O4S.
What is the molecular weight of 4-nitro-N-(4-oxo-3-phenyl-4H-thiochromen-2-yl)benzamide?
The molecular weight of 4-nitro-N-(4-oxo-3-phenyl-4H-thiochromen-2-yl)benzamide is 402.07 g/mol.
Where can I buy 4-nitro-N-(4-oxo-3-phenyl-4H-thiochromen-2-yl)benzamide?
You can request a quote for 4-nitro-N-(4-oxo-3-phenyl-4H-thiochromen-2-yl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-nitro-N-(4-oxo-3-phenyl-4H-thiochromen-2-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-nitro-N-(4-oxo-3-phenyl-4H-thiochromen-2-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.