4-(4-fluorophenyl)-N-methylpiperazine-1-carbothioamide
TL;DR: 4-(4-fluorophenyl)-N-methylpiperazine-1-carbothioamide (CAS 461460-08-2) is a chemical compound with molecular formula C12H16FN3S and molecular weight 253.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-fluorophenyl)-N-methylpiperazine-1-carbothioamide
Also Known As: BAS 04887366, 4-(4-fluorophenyl)-N-methylpiperazine-1-carbothioamide, [4-(4-fluorophenyl)piperazinyl](methylamino)methane-1-thione, 4-(4-Fluoro-phenyl)-piperazine-1-carbothioic acid methylamide
| Molecular Formula | C12H16FN3S |
|---|---|
| Molecular Weight | 253.10 g/mol |
| LogP | 1.452 |
| Topological Polar Surface Area | 18.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 253.1049 |
| Heavy Atoms | 17 |
| Complexity | 385.24216 |
Chemical Identifiers
| CAS Number | 461460-08-2 |
|---|---|
| SMILES | CNC(=S)N1CCN(CC1)C2=CC=C(C=C2)F |
Product Overview
4-(4-fluorophenyl)-N-methylpiperazine-1-carbothioamide (CAS 461460-08-2), with molecular formula C12H16FN3S and molecular weight 253.10 g/mol. IUPAC: 4-(4-fluorophenyl)-N-methylpiperazine-1-carbothioamide.
Chemical Property Profile of 4-(4-fluorophenyl)-N-methylpiperazine-1-carbothioamide
Property Insights of 4-(4-fluorophenyl)-N-methylpiperazine-1-carbothioamide
The XLogP value of 1.452 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-fluorophenyl)-N-methylpiperazine-1-carbothioamide. With a topological polar surface area (TPSA) of 18.51 Ų, 4-(4-fluorophenyl)-N-methylpiperazine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-fluorophenyl)-N-methylpiperazine-1-carbothioamide has 1 hydrogen bond donor(s) and 2 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-fluorophenyl)-N-methylpiperazine-1-carbothioamide?
The CAS number of 4-(4-fluorophenyl)-N-methylpiperazine-1-carbothioamide is 461460-08-2.
What is the molecular formula of 4-(4-fluorophenyl)-N-methylpiperazine-1-carbothioamide?
The molecular formula of 4-(4-fluorophenyl)-N-methylpiperazine-1-carbothioamide is C12H16FN3S.
What is the molecular weight of 4-(4-fluorophenyl)-N-methylpiperazine-1-carbothioamide?
The molecular weight of 4-(4-fluorophenyl)-N-methylpiperazine-1-carbothioamide is 253.10 g/mol.
Where can I buy 4-(4-fluorophenyl)-N-methylpiperazine-1-carbothioamide?
You can request a quote for 4-(4-fluorophenyl)-N-methylpiperazine-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-fluorophenyl)-N-methylpiperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-fluorophenyl)-N-methylpiperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.