N-(4-chloro-2,5-dimethoxyphenyl)-4-(4-fluorophenyl)piperazine-1-carbothioamide
TL;DR: N-(4-chloro-2,5-dimethoxyphenyl)-4-(4-fluorophenyl)piperazine-1-carbothioamide (CAS 664968-97-2) is a chemical compound with molecular formula C19H21ClFN3O2S and molecular weight 409.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chloro-2,5-dimethoxyphenyl)-4-(4-fluorophenyl)piperazine-1-carbothioamide
Also Known As: AJ-292/41694434, N-(4-chloro-2,5-dimethoxyphenyl)-4-(4-fluorophenyl)piperazine-1-carbothioamide, [(4-chloro-2,5-dimethoxyphenyl)amino][4-(4-fluorophenyl)piperazinyl]methane-1- thione, N-(4-chloro-2,5-dimethoxyphenyl)-4-(4-fluorophenyl)-1-piperazinecarbothioamide, N-(4-CHLORO-2,5-DIMETHOXYPHENYL)-4-(4-FLUOROPHENYL)TETRAHYDRO-1(2H)-PYRAZINECARBOTHIOAMIDE
| Molecular Formula | C19H21ClFN3O2S |
|---|---|
| Molecular Weight | 409.10 g/mol |
| LogP | 4.0153 |
| Topological Polar Surface Area | 36.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 409.1027 |
| Heavy Atoms | 27 |
| Complexity | 811.3472 |
Chemical Identifiers
| CAS Number | 664968-97-2 |
|---|---|
| SMILES | COC1=CC(=C(C=C1NC(=S)N2CCN(CC2)C3=CC=C(C=C3)F)OC)Cl |
Product Overview
N-(4-chloro-2,5-dimethoxyphenyl)-4-(4-fluorophenyl)piperazine-1-carbothioamide (CAS 664968-97-2), with molecular formula C19H21ClFN3O2S and molecular weight 409.10 g/mol. IUPAC: N-(4-chloro-2,5-dimethoxyphenyl)-4-(4-fluorophenyl)piperazine-1-carbothioamide.
Chemical Property Profile of N-(4-chloro-2,5-dimethoxyphenyl)-4-(4-fluorophenyl)piperazine-1-carbothioamide
Property Insights of N-(4-chloro-2,5-dimethoxyphenyl)-4-(4-fluorophenyl)piperazine-1-carbothioamide
The XLogP value of 4.0153 indicates that N-(4-chloro-2,5-dimethoxyphenyl)-4-(4-fluorophenyl)piperazine-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.97 Ų, N-(4-chloro-2,5-dimethoxyphenyl)-4-(4-fluorophenyl)piperazine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-chloro-2,5-dimethoxyphenyl)-4-(4-fluorophenyl)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 N-(4-chloro-2,5-dimethoxyphenyl)-4-(4-fluorophenyl)piperazine-1-carbothioamide?
The CAS number of N-(4-chloro-2,5-dimethoxyphenyl)-4-(4-fluorophenyl)piperazine-1-carbothioamide is 664968-97-2.
What is the molecular formula of N-(4-chloro-2,5-dimethoxyphenyl)-4-(4-fluorophenyl)piperazine-1-carbothioamide?
The molecular formula of N-(4-chloro-2,5-dimethoxyphenyl)-4-(4-fluorophenyl)piperazine-1-carbothioamide is C19H21ClFN3O2S.
What is the molecular weight of N-(4-chloro-2,5-dimethoxyphenyl)-4-(4-fluorophenyl)piperazine-1-carbothioamide?
The molecular weight of N-(4-chloro-2,5-dimethoxyphenyl)-4-(4-fluorophenyl)piperazine-1-carbothioamide is 409.10 g/mol.
Where can I buy N-(4-chloro-2,5-dimethoxyphenyl)-4-(4-fluorophenyl)piperazine-1-carbothioamide?
You can request a quote for N-(4-chloro-2,5-dimethoxyphenyl)-4-(4-fluorophenyl)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 N-(4-chloro-2,5-dimethoxyphenyl)-4-(4-fluorophenyl)piperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-chloro-2,5-dimethoxyphenyl)-4-(4-fluorophenyl)piperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.