4-(2-hydroxyphenyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carbothioamide
TL;DR: 4-(2-hydroxyphenyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carbothioamide (CAS 879586-38-6) is a chemical compound with molecular formula C20H25N3O4S and molecular weight 403.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-hydroxyphenyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carbothioamide
Also Known As: 4-(2-hydroxyphenyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carbothioamide
| Molecular Formula | C20H25N3O4S |
|---|---|
| Molecular Weight | 403.16 g/mol |
| LogP | 2.937 |
| Topological Polar Surface Area | 66.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 403.1566 |
| Heavy Atoms | 28 |
| Complexity | 812.9457 |
Chemical Identifiers
| CAS Number | 879586-38-6 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)NC(=S)N2CCN(CC2)C3=CC=CC=C3O |
Product Overview
4-(2-hydroxyphenyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carbothioamide (CAS 879586-38-6), with molecular formula C20H25N3O4S and molecular weight 403.16 g/mol. IUPAC: 4-(2-hydroxyphenyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carbothioamide.
Chemical Property Profile of 4-(2-hydroxyphenyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carbothioamide
Property Insights of 4-(2-hydroxyphenyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carbothioamide
The XLogP value of 2.937 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-hydroxyphenyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carbothioamide. The TPSA of 66.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-hydroxyphenyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carbothioamide. Following Lipinski's Rule of Five, 4-(2-hydroxyphenyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carbothioamide has 2 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 4-(2-hydroxyphenyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carbothioamide?
The CAS number of 4-(2-hydroxyphenyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carbothioamide is 879586-38-6.
What is the molecular formula of 4-(2-hydroxyphenyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carbothioamide?
The molecular formula of 4-(2-hydroxyphenyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carbothioamide is C20H25N3O4S.
What is the molecular weight of 4-(2-hydroxyphenyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carbothioamide?
The molecular weight of 4-(2-hydroxyphenyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carbothioamide is 403.16 g/mol.
Where can I buy 4-(2-hydroxyphenyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carbothioamide?
You can request a quote for 4-(2-hydroxyphenyl)-N-(3,4,5-trimethoxyphenyl)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-(2-hydroxyphenyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-hydroxyphenyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.