4-(4-acetylphenyl)-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carbothioamide
TL;DR: 4-(4-acetylphenyl)-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carbothioamide (CAS 708226-25-9) is a chemical compound with molecular formula C23H23N3O3S and molecular weight 421.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-acetylphenyl)-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carbothioamide
Also Known As: 4-(4-acetylphenyl)-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carbothioamide, 1-acetyl-4-(4-{[(4-methyl-2-oxochromen-7-yl)amino]thioxomethyl}piperazinyl)ben zene, 4-(4-acetylphenyl)-N-(4-methyl-2-oxo-2H-chromen-7-yl)piperazine-1-carbothioamide
| Molecular Formula | C23H23N3O3S |
|---|---|
| Molecular Weight | 421.15 g/mol |
| LogP | 3.82302 |
| Topological Polar Surface Area | 65.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 421.14603 |
| Heavy Atoms | 30 |
| Complexity | 1162.5221 |
Chemical Identifiers
| CAS Number | 708226-25-9 |
|---|---|
| SMILES | CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)N3CCN(CC3)C4=CC=C(C=C4)C(=O)C |
Product Overview
4-(4-acetylphenyl)-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carbothioamide (CAS 708226-25-9), with molecular formula C23H23N3O3S and molecular weight 421.15 g/mol. IUPAC: 4-(4-acetylphenyl)-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carbothioamide.
Chemical Property Profile of 4-(4-acetylphenyl)-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carbothioamide
Property Insights of 4-(4-acetylphenyl)-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carbothioamide
The XLogP value of 3.82302 indicates that 4-(4-acetylphenyl)-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.79 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-acetylphenyl)-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carbothioamide. Following Lipinski's Rule of Five, 4-(4-acetylphenyl)-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carbothioamide has 1 hydrogen bond donor(s) and 5 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 4-(4-acetylphenyl)-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carbothioamide?
The CAS number of 4-(4-acetylphenyl)-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carbothioamide is 708226-25-9.
What is the molecular formula of 4-(4-acetylphenyl)-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carbothioamide?
The molecular formula of 4-(4-acetylphenyl)-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carbothioamide is C23H23N3O3S.
What is the molecular weight of 4-(4-acetylphenyl)-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carbothioamide?
The molecular weight of 4-(4-acetylphenyl)-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carbothioamide is 421.15 g/mol.
Where can I buy 4-(4-acetylphenyl)-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carbothioamide?
You can request a quote for 4-(4-acetylphenyl)-N-(4-methyl-2-oxochromen-7-yl)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 4-(4-acetylphenyl)-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-acetylphenyl)-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.