![(4-Pyrimidin-2-ylpiperazinyl)[(3,4,5-trimethoxyphenyl)amino]methane-1-thione structure](/static/products/879/879761-22-5.png)
(4-Pyrimidin-2-ylpiperazinyl)[(3,4,5-trimethoxyphenyl)amino]methane-1-thione
TL;DR: (4-Pyrimidin-2-ylpiperazinyl)[(3,4,5-trimethoxyphenyl)amino]methane-1-thione (CAS 879761-22-5) is a chemical compound with molecular formula C18H23N5O3S and molecular weight 389.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-pyrimidin-2-yl-N-(3,4,5-trimethoxyphenyl)piperazine-1-carbothioamide
Also Known As: (4-pyrimidin-2-ylpiperazinyl)[(3,4,5-trimethoxyphenyl)amino]methane-1-thione, 4-(pyrimidin-2-yl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carbothioamide, 4-pyrimidin-2-yl-N-(3,4,5-trimethoxyphenyl)piperazine-1-carbothioamide, 4-(2-PYRIMIDINYL)-N-(3,4,5-TRIMETHOXYPHENYL)TETRAHYDRO-1(2H)-PYRAZINECARBOTHIOAMIDE
| Molecular Formula | C18H23N5O3S |
|---|---|
| Molecular Weight | 389.15 g/mol |
| LogP | 2.0214 |
| Topological Polar Surface Area | 71.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 389.15216 |
| Heavy Atoms | 27 |
| Complexity | 756.8166 |
Chemical Identifiers
| CAS Number | 879761-22-5 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)NC(=S)N2CCN(CC2)C3=NC=CC=N3 |
Product Overview
(4-Pyrimidin-2-ylpiperazinyl)[(3,4,5-trimethoxyphenyl)amino]methane-1-thione (CAS 879761-22-5), with molecular formula C18H23N5O3S and molecular weight 389.15 g/mol. IUPAC: 4-pyrimidin-2-yl-N-(3,4,5-trimethoxyphenyl)piperazine-1-carbothioamide.
Chemical Property Profile of (4-Pyrimidin-2-ylpiperazinyl)[(3,4,5-trimethoxyphenyl)amino]methane-1-thione
Property Insights of (4-Pyrimidin-2-ylpiperazinyl)[(3,4,5-trimethoxyphenyl)amino]methane-1-thione
The XLogP value of 2.0214 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Pyrimidin-2-ylpiperazinyl)[(3,4,5-trimethoxyphenyl)amino]methane-1-thione. The TPSA of 71.98 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Pyrimidin-2-ylpiperazinyl)[(3,4,5-trimethoxyphenyl)amino]methane-1-thione. Following Lipinski's Rule of Five, (4-Pyrimidin-2-ylpiperazinyl)[(3,4,5-trimethoxyphenyl)amino]methane-1-thione has 1 hydrogen bond donor(s) and 7 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-Pyrimidin-2-ylpiperazinyl)[(3,4,5-trimethoxyphenyl)amino]methane-1-thione?
The CAS number of (4-Pyrimidin-2-ylpiperazinyl)[(3,4,5-trimethoxyphenyl)amino]methane-1-thione is 879761-22-5.
What is the molecular formula of (4-Pyrimidin-2-ylpiperazinyl)[(3,4,5-trimethoxyphenyl)amino]methane-1-thione?
The molecular formula of (4-Pyrimidin-2-ylpiperazinyl)[(3,4,5-trimethoxyphenyl)amino]methane-1-thione is C18H23N5O3S.
What is the molecular weight of (4-Pyrimidin-2-ylpiperazinyl)[(3,4,5-trimethoxyphenyl)amino]methane-1-thione?
The molecular weight of (4-Pyrimidin-2-ylpiperazinyl)[(3,4,5-trimethoxyphenyl)amino]methane-1-thione is 389.15 g/mol.
Where can I buy (4-Pyrimidin-2-ylpiperazinyl)[(3,4,5-trimethoxyphenyl)amino]methane-1-thione?
You can request a quote for (4-Pyrimidin-2-ylpiperazinyl)[(3,4,5-trimethoxyphenyl)amino]methane-1-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Pyrimidin-2-ylpiperazinyl)[(3,4,5-trimethoxyphenyl)amino]methane-1-thione?
Yes, KEHONG BIO provides custom synthesis services for (4-Pyrimidin-2-ylpiperazinyl)[(3,4,5-trimethoxyphenyl)amino]methane-1-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.