4-methyl-N-(oxolan-2-ylmethyl)piperazine-1-carbothioamide
TL;DR: 4-methyl-N-(oxolan-2-ylmethyl)piperazine-1-carbothioamide (CAS 461459-22-3) is a chemical compound with molecular formula C11H21N3OS and molecular weight 243.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-N-(oxolan-2-ylmethyl)piperazine-1-carbothioamide
Also Known As: BAS 04887294, 4-methyl-N-(oxolan-2-ylmethyl)piperazine-1-carbothioamide, (4-methylpiperazinyl)[(oxolan-2-ylmethyl)amino]methane-1-thione, 4-methyl-N-(tetrahydrofuran-2-ylmethyl)piperazine-1-carbothioamide, 4-Methyl-piperazine-1-carbothioic acid (tetrahydro-furan-2-ylmethyl)-amide
| Molecular Formula | C11H21N3OS |
|---|---|
| Molecular Weight | 243.14 g/mol |
| LogP | 0.2873 |
| Topological Polar Surface Area | 27.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 243.14053 |
| Heavy Atoms | 16 |
| Complexity | 235.38417 |
Chemical Identifiers
| CAS Number | 461459-22-3 |
|---|---|
| SMILES | CN1CCN(CC1)C(=S)NCC2CCCO2 |
Product Overview
4-methyl-N-(oxolan-2-ylmethyl)piperazine-1-carbothioamide (CAS 461459-22-3), with molecular formula C11H21N3OS and molecular weight 243.14 g/mol. IUPAC: 4-methyl-N-(oxolan-2-ylmethyl)piperazine-1-carbothioamide.
Chemical Property Profile of 4-methyl-N-(oxolan-2-ylmethyl)piperazine-1-carbothioamide
Property Insights of 4-methyl-N-(oxolan-2-ylmethyl)piperazine-1-carbothioamide
The XLogP value of 0.2873 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-methyl-N-(oxolan-2-ylmethyl)piperazine-1-carbothioamide. With a topological polar surface area (TPSA) of 27.74 Ų, 4-methyl-N-(oxolan-2-ylmethyl)piperazine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-methyl-N-(oxolan-2-ylmethyl)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-methyl-N-(oxolan-2-ylmethyl)piperazine-1-carbothioamide?
The CAS number of 4-methyl-N-(oxolan-2-ylmethyl)piperazine-1-carbothioamide is 461459-22-3.
What is the molecular formula of 4-methyl-N-(oxolan-2-ylmethyl)piperazine-1-carbothioamide?
The molecular formula of 4-methyl-N-(oxolan-2-ylmethyl)piperazine-1-carbothioamide is C11H21N3OS.
What is the molecular weight of 4-methyl-N-(oxolan-2-ylmethyl)piperazine-1-carbothioamide?
The molecular weight of 4-methyl-N-(oxolan-2-ylmethyl)piperazine-1-carbothioamide is 243.14 g/mol.
Where can I buy 4-methyl-N-(oxolan-2-ylmethyl)piperazine-1-carbothioamide?
You can request a quote for 4-methyl-N-(oxolan-2-ylmethyl)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-methyl-N-(oxolan-2-ylmethyl)piperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 4-methyl-N-(oxolan-2-ylmethyl)piperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.