![4-[(3-methoxyphenyl)methyl]-N-(4-nitrophenyl)piperazine-1-carbothioamide structure](/static/products/7082/708229-49-6.webp)
4-[(3-methoxyphenyl)methyl]-N-(4-nitrophenyl)piperazine-1-carbothioamide
TL;DR: 4-[(3-methoxyphenyl)methyl]-N-(4-nitrophenyl)piperazine-1-carbothioamide (CAS 708229-49-6) is a chemical compound with molecular formula C19H22N4O3S and molecular weight 386.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3-methoxyphenyl)methyl]-N-(4-nitrophenyl)piperazine-1-carbothioamide
Also Known As: 4-[(3-methoxyphenyl)methyl]-N-(4-nitrophenyl)piperazine-1-carbothioamide, 4-(3-methoxybenzyl)-N-(4-nitrophenyl)piperazine-1-carbothioamide, {4-[(3-methoxyphenyl)methyl]piperazinyl}[(4-nitrophenyl)amino]methane-1-thione
| Molecular Formula | C19H22N4O3S |
|---|---|
| Molecular Weight | 386.14 g/mol |
| LogP | 3.118 |
| Topological Polar Surface Area | 70.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 386.14127 |
| Heavy Atoms | 27 |
| Complexity | 804.857 |
Chemical Identifiers
| CAS Number | 708229-49-6 |
|---|---|
| SMILES | COC1=CC=CC(=C1)CN2CCN(CC2)C(=S)NC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
4-[(3-methoxyphenyl)methyl]-N-(4-nitrophenyl)piperazine-1-carbothioamide (CAS 708229-49-6), with molecular formula C19H22N4O3S and molecular weight 386.14 g/mol. IUPAC: 4-[(3-methoxyphenyl)methyl]-N-(4-nitrophenyl)piperazine-1-carbothioamide.
Chemical Property Profile of 4-[(3-methoxyphenyl)methyl]-N-(4-nitrophenyl)piperazine-1-carbothioamide
Property Insights of 4-[(3-methoxyphenyl)methyl]-N-(4-nitrophenyl)piperazine-1-carbothioamide
The XLogP value of 3.118 indicates that 4-[(3-methoxyphenyl)methyl]-N-(4-nitrophenyl)piperazine-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(3-methoxyphenyl)methyl]-N-(4-nitrophenyl)piperazine-1-carbothioamide. Following Lipinski's Rule of Five, 4-[(3-methoxyphenyl)methyl]-N-(4-nitrophenyl)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-[(3-methoxyphenyl)methyl]-N-(4-nitrophenyl)piperazine-1-carbothioamide?
The CAS number of 4-[(3-methoxyphenyl)methyl]-N-(4-nitrophenyl)piperazine-1-carbothioamide is 708229-49-6.
What is the molecular formula of 4-[(3-methoxyphenyl)methyl]-N-(4-nitrophenyl)piperazine-1-carbothioamide?
The molecular formula of 4-[(3-methoxyphenyl)methyl]-N-(4-nitrophenyl)piperazine-1-carbothioamide is C19H22N4O3S.
What is the molecular weight of 4-[(3-methoxyphenyl)methyl]-N-(4-nitrophenyl)piperazine-1-carbothioamide?
The molecular weight of 4-[(3-methoxyphenyl)methyl]-N-(4-nitrophenyl)piperazine-1-carbothioamide is 386.14 g/mol.
Where can I buy 4-[(3-methoxyphenyl)methyl]-N-(4-nitrophenyl)piperazine-1-carbothioamide?
You can request a quote for 4-[(3-methoxyphenyl)methyl]-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-[(3-methoxyphenyl)methyl]-N-(4-nitrophenyl)piperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 4-[(3-methoxyphenyl)methyl]-N-(4-nitrophenyl)piperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.