N-(3-(3,4-dichlorophenyl)-4-oxo-4H-thiochromen-2-yl)-3-nitrobenzamide
TL;DR: N-(3-(3,4-dichlorophenyl)-4-oxo-4H-thiochromen-2-yl)-3-nitrobenzamide (CAS 879464-67-2) is a chemical compound with molecular formula C22H12Cl2N2O4S and molecular weight 469.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(3,4-dichlorophenyl)-4-oxothiochromen-2-yl]-3-nitrobenzamide
Also Known As: N-[3-(3,4-dichlorophenyl)-4-oxothiochromen-2-yl]-3-nitrobenzamide, N-(3-(3,4-dichlorophenyl)-4-oxo-4H-thiochromen-2-yl)-3-nitrobenzamide, N-[3-(3,4-dichlorophenyl)-4-oxo-4H-thiochromen-2-yl]-3-nitrobenzamide, N-[3-(3,4-dichlorophenyl)-4-oxo-thiochromen-2-yl]-3-nitro-benzamide
| Molecular Formula | C22H12Cl2N2O4S |
|---|---|
| Molecular Weight | 469.99 g/mol |
| LogP | 6.3958 |
| Topological Polar Surface Area | 89.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 469.98947 |
| Heavy Atoms | 31 |
| Complexity | 1418.548 |
Chemical Identifiers
| CAS Number | 879464-67-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C(=C(S2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC(=C(C=C4)Cl)Cl |
Product Overview
N-(3-(3,4-dichlorophenyl)-4-oxo-4H-thiochromen-2-yl)-3-nitrobenzamide (CAS 879464-67-2), with molecular formula C22H12Cl2N2O4S and molecular weight 469.99 g/mol. IUPAC: N-[3-(3,4-dichlorophenyl)-4-oxothiochromen-2-yl]-3-nitrobenzamide.
Chemical Property Profile of N-(3-(3,4-dichlorophenyl)-4-oxo-4H-thiochromen-2-yl)-3-nitrobenzamide
Property Insights of N-(3-(3,4-dichlorophenyl)-4-oxo-4H-thiochromen-2-yl)-3-nitrobenzamide
The XLogP value of 6.3958 indicates that N-(3-(3,4-dichlorophenyl)-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-(3,4-dichlorophenyl)-4-oxo-4H-thiochromen-2-yl)-3-nitrobenzamide. Following Lipinski's Rule of Five, N-(3-(3,4-dichlorophenyl)-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-(3,4-dichlorophenyl)-4-oxo-4H-thiochromen-2-yl)-3-nitrobenzamide?
The CAS number of N-(3-(3,4-dichlorophenyl)-4-oxo-4H-thiochromen-2-yl)-3-nitrobenzamide is 879464-67-2.
What is the molecular formula of N-(3-(3,4-dichlorophenyl)-4-oxo-4H-thiochromen-2-yl)-3-nitrobenzamide?
The molecular formula of N-(3-(3,4-dichlorophenyl)-4-oxo-4H-thiochromen-2-yl)-3-nitrobenzamide is C22H12Cl2N2O4S.
What is the molecular weight of N-(3-(3,4-dichlorophenyl)-4-oxo-4H-thiochromen-2-yl)-3-nitrobenzamide?
The molecular weight of N-(3-(3,4-dichlorophenyl)-4-oxo-4H-thiochromen-2-yl)-3-nitrobenzamide is 469.99 g/mol.
Where can I buy N-(3-(3,4-dichlorophenyl)-4-oxo-4H-thiochromen-2-yl)-3-nitrobenzamide?
You can request a quote for N-(3-(3,4-dichlorophenyl)-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-(3,4-dichlorophenyl)-4-oxo-4H-thiochromen-2-yl)-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-(3,4-dichlorophenyl)-4-oxo-4H-thiochromen-2-yl)-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.