4-(4-acetylphenyl)-N-(furan-2-ylmethyl)piperazine-1-carbothioamide
TL;DR: 4-(4-acetylphenyl)-N-(furan-2-ylmethyl)piperazine-1-carbothioamide (CAS 706775-22-6) is a chemical compound with molecular formula C18H21N3O2S and molecular weight 343.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-acetylphenyl)-N-(furan-2-ylmethyl)piperazine-1-carbothioamide
Also Known As: 4-(4-acetylphenyl)-N-(furan-2-ylmethyl)piperazine-1-carbothioamide, 4-(4-acetylphenyl)-N-(2-furylmethyl)-1-piperazinecarbothioamide, 1-acetyl-4-(4-{[(2-furylmethyl)amino]thioxomethyl}piperazinyl)benzene
| Molecular Formula | C18H21N3O2S |
|---|---|
| Molecular Weight | 343.14 g/mol |
| LogP | 2.6789 |
| Topological Polar Surface Area | 48.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 343.13544 |
| Heavy Atoms | 24 |
| Complexity | 689.5638 |
Chemical Identifiers
| CAS Number | 706775-22-6 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=S)NCC3=CC=CO3 |
Product Overview
4-(4-acetylphenyl)-N-(furan-2-ylmethyl)piperazine-1-carbothioamide (CAS 706775-22-6), with molecular formula C18H21N3O2S and molecular weight 343.14 g/mol. IUPAC: 4-(4-acetylphenyl)-N-(furan-2-ylmethyl)piperazine-1-carbothioamide.
Chemical Property Profile of 4-(4-acetylphenyl)-N-(furan-2-ylmethyl)piperazine-1-carbothioamide
Property Insights of 4-(4-acetylphenyl)-N-(furan-2-ylmethyl)piperazine-1-carbothioamide
The XLogP value of 2.6789 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-acetylphenyl)-N-(furan-2-ylmethyl)piperazine-1-carbothioamide. With a topological polar surface area (TPSA) of 48.72 Ų, 4-(4-acetylphenyl)-N-(furan-2-ylmethyl)piperazine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-acetylphenyl)-N-(furan-2-ylmethyl)piperazine-1-carbothioamide has 1 hydrogen bond donor(s) and 4 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-(4-acetylphenyl)-N-(furan-2-ylmethyl)piperazine-1-carbothioamide?
The CAS number of 4-(4-acetylphenyl)-N-(furan-2-ylmethyl)piperazine-1-carbothioamide is 706775-22-6.
What is the molecular formula of 4-(4-acetylphenyl)-N-(furan-2-ylmethyl)piperazine-1-carbothioamide?
The molecular formula of 4-(4-acetylphenyl)-N-(furan-2-ylmethyl)piperazine-1-carbothioamide is C18H21N3O2S.
What is the molecular weight of 4-(4-acetylphenyl)-N-(furan-2-ylmethyl)piperazine-1-carbothioamide?
The molecular weight of 4-(4-acetylphenyl)-N-(furan-2-ylmethyl)piperazine-1-carbothioamide is 343.14 g/mol.
Where can I buy 4-(4-acetylphenyl)-N-(furan-2-ylmethyl)piperazine-1-carbothioamide?
You can request a quote for 4-(4-acetylphenyl)-N-(furan-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-(4-acetylphenyl)-N-(furan-2-ylmethyl)piperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-acetylphenyl)-N-(furan-2-ylmethyl)piperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.