4-ethyl-N-(4-methoxyphenyl)piperazine-1-carbothioamide
TL;DR: 4-ethyl-N-(4-methoxyphenyl)piperazine-1-carbothioamide (CAS 690702-93-3) is a chemical compound with molecular formula C14H21N3OS and molecular weight 279.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethyl-N-(4-methoxyphenyl)piperazine-1-carbothioamide
Also Known As: 4-ethyl-N-(4-methoxyphenyl)piperazine-1-carbothioamide
| Molecular Formula | C14H21N3OS |
|---|---|
| Molecular Weight | 279.14 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 59.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 279.14053 |
| Heavy Atoms | 19 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 690702-93-3 |
|---|---|
| SMILES | CCN1CCN(CC1)C(=S)NC2=CC=C(C=C2)OC |
| InChIKey | XWLWPBRJJRISII-UHFFFAOYSA-N |
Product Overview
4-ethyl-N-(4-methoxyphenyl)piperazine-1-carbothioamide (CAS 690702-93-3), with molecular formula C14H21N3OS and molecular weight 279.14 g/mol. IUPAC: 4-ethyl-N-(4-methoxyphenyl)piperazine-1-carbothioamide.
Chemical Property Profile of 4-ethyl-N-(4-methoxyphenyl)piperazine-1-carbothioamide
Property Insights of 4-ethyl-N-(4-methoxyphenyl)piperazine-1-carbothioamide
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-ethyl-N-(4-methoxyphenyl)piperazine-1-carbothioamide. With a topological polar surface area (TPSA) of 59.8 Ų, 4-ethyl-N-(4-methoxyphenyl)piperazine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-ethyl-N-(4-methoxyphenyl)piperazine-1-carbothioamide has 1 hydrogen bond donor(s) and 3 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-ethyl-N-(4-methoxyphenyl)piperazine-1-carbothioamide?
The CAS number of 4-ethyl-N-(4-methoxyphenyl)piperazine-1-carbothioamide is 690702-93-3.
What is the molecular formula of 4-ethyl-N-(4-methoxyphenyl)piperazine-1-carbothioamide?
The molecular formula of 4-ethyl-N-(4-methoxyphenyl)piperazine-1-carbothioamide is C14H21N3OS.
What is the molecular weight of 4-ethyl-N-(4-methoxyphenyl)piperazine-1-carbothioamide?
The molecular weight of 4-ethyl-N-(4-methoxyphenyl)piperazine-1-carbothioamide is 279.14 g/mol.
Where can I buy 4-ethyl-N-(4-methoxyphenyl)piperazine-1-carbothioamide?
You can request a quote for 4-ethyl-N-(4-methoxyphenyl)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-ethyl-N-(4-methoxyphenyl)piperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 4-ethyl-N-(4-methoxyphenyl)piperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.