4-benzhydryl-N-(4-nitrophenyl)piperazine-1-carbothioamide
TL;DR: 4-benzhydryl-N-(4-nitrophenyl)piperazine-1-carbothioamide (CAS 405067-49-4) is a chemical compound with molecular formula C24H24N4O2S and molecular weight 432.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzhydryl-N-(4-nitrophenyl)piperazine-1-carbothioamide
Also Known As: 4-benzhydryl-N-(4-nitrophenyl)piperazine-1-carbothioamide, 4-(diphenylmethyl)-N-(4-nitrophenyl)piperazine-1-carbothioamide, [4-(diphenylmethyl)piperazinyl][(4-nitrophenyl)amino]methane-1-thione
| Molecular Formula | C24H24N4O2S |
|---|---|
| Molecular Weight | 432.16 g/mol |
| LogP | 4.6988 |
| Topological Polar Surface Area | 61.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 432.162 |
| Heavy Atoms | 31 |
| Complexity | 980.96454 |
Chemical Identifiers
| CAS Number | 405067-49-4 |
|---|---|
| SMILES | C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=S)NC4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
4-benzhydryl-N-(4-nitrophenyl)piperazine-1-carbothioamide (CAS 405067-49-4), with molecular formula C24H24N4O2S and molecular weight 432.16 g/mol. IUPAC: 4-benzhydryl-N-(4-nitrophenyl)piperazine-1-carbothioamide.
Chemical Property Profile of 4-benzhydryl-N-(4-nitrophenyl)piperazine-1-carbothioamide
Property Insights of 4-benzhydryl-N-(4-nitrophenyl)piperazine-1-carbothioamide
The XLogP value of 4.6988 indicates that 4-benzhydryl-N-(4-nitrophenyl)piperazine-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-benzhydryl-N-(4-nitrophenyl)piperazine-1-carbothioamide. Following Lipinski's Rule of Five, 4-benzhydryl-N-(4-nitrophenyl)piperazine-1-carbothioamide has 1 hydrogen bond donor(s) and 4 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-benzhydryl-N-(4-nitrophenyl)piperazine-1-carbothioamide?
The CAS number of 4-benzhydryl-N-(4-nitrophenyl)piperazine-1-carbothioamide is 405067-49-4.
What is the molecular formula of 4-benzhydryl-N-(4-nitrophenyl)piperazine-1-carbothioamide?
The molecular formula of 4-benzhydryl-N-(4-nitrophenyl)piperazine-1-carbothioamide is C24H24N4O2S.
What is the molecular weight of 4-benzhydryl-N-(4-nitrophenyl)piperazine-1-carbothioamide?
The molecular weight of 4-benzhydryl-N-(4-nitrophenyl)piperazine-1-carbothioamide is 432.16 g/mol.
Where can I buy 4-benzhydryl-N-(4-nitrophenyl)piperazine-1-carbothioamide?
You can request a quote for 4-benzhydryl-N-(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 4-benzhydryl-N-(4-nitrophenyl)piperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 4-benzhydryl-N-(4-nitrophenyl)piperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.