N-(4-methyl-2-oxochromen-7-yl)-4-(4-nitrophenyl)piperazine-1-carbothioamide
TL;DR: N-(4-methyl-2-oxochromen-7-yl)-4-(4-nitrophenyl)piperazine-1-carbothioamide (CAS 708224-79-7) is a chemical compound with molecular formula C21H20N4O4S and molecular weight 424.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-methyl-2-oxochromen-7-yl)-4-(4-nitrophenyl)piperazine-1-carbothioamide
Also Known As: N-(4-methyl-2-oxochromen-7-yl)-4-(4-nitrophenyl)piperazine-1-carbothioamide, 4-methyl-7-({[4-(4-nitrophenyl)piperazinyl]thioxomethyl}amino)chromen-2-one, N-(4-methyl-2-oxo-2H-chromen-7-yl)-4-(4-nitrophenyl)piperazine-1-carbothioamide, N-(4-methyl-2-oxo-chromen-7-yl)-4-(4-nitrophenyl)piperazine-1-carbothioamide
| Molecular Formula | C21H20N4O4S |
|---|---|
| Molecular Weight | 424.12 g/mol |
| LogP | 3.52862 |
| Topological Polar Surface Area | 91.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 424.1205 |
| Heavy Atoms | 30 |
| Complexity | 1167.8351 |
Chemical Identifiers
| CAS Number | 708224-79-7 |
|---|---|
| SMILES | CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
N-(4-methyl-2-oxochromen-7-yl)-4-(4-nitrophenyl)piperazine-1-carbothioamide (CAS 708224-79-7), with molecular formula C21H20N4O4S and molecular weight 424.12 g/mol. IUPAC: N-(4-methyl-2-oxochromen-7-yl)-4-(4-nitrophenyl)piperazine-1-carbothioamide.
Chemical Property Profile of N-(4-methyl-2-oxochromen-7-yl)-4-(4-nitrophenyl)piperazine-1-carbothioamide
Property Insights of N-(4-methyl-2-oxochromen-7-yl)-4-(4-nitrophenyl)piperazine-1-carbothioamide
The XLogP value of 3.52862 indicates that N-(4-methyl-2-oxochromen-7-yl)-4-(4-nitrophenyl)piperazine-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.86 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-methyl-2-oxochromen-7-yl)-4-(4-nitrophenyl)piperazine-1-carbothioamide. Following Lipinski's Rule of Five, N-(4-methyl-2-oxochromen-7-yl)-4-(4-nitrophenyl)piperazine-1-carbothioamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(4-methyl-2-oxochromen-7-yl)-4-(4-nitrophenyl)piperazine-1-carbothioamide?
The CAS number of N-(4-methyl-2-oxochromen-7-yl)-4-(4-nitrophenyl)piperazine-1-carbothioamide is 708224-79-7.
What is the molecular formula of N-(4-methyl-2-oxochromen-7-yl)-4-(4-nitrophenyl)piperazine-1-carbothioamide?
The molecular formula of N-(4-methyl-2-oxochromen-7-yl)-4-(4-nitrophenyl)piperazine-1-carbothioamide is C21H20N4O4S.
What is the molecular weight of N-(4-methyl-2-oxochromen-7-yl)-4-(4-nitrophenyl)piperazine-1-carbothioamide?
The molecular weight of N-(4-methyl-2-oxochromen-7-yl)-4-(4-nitrophenyl)piperazine-1-carbothioamide is 424.12 g/mol.
Where can I buy N-(4-methyl-2-oxochromen-7-yl)-4-(4-nitrophenyl)piperazine-1-carbothioamide?
You can request a quote for N-(4-methyl-2-oxochromen-7-yl)-4-(4-nitrophenyl)piperazine-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-methyl-2-oxochromen-7-yl)-4-(4-nitrophenyl)piperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-methyl-2-oxochromen-7-yl)-4-(4-nitrophenyl)piperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.