N-(4-chloro-2-methylphenyl)-4-(furan-2-carbonyl)piperazine-1-carbothioamide
TL;DR: N-(4-chloro-2-methylphenyl)-4-(furan-2-carbonyl)piperazine-1-carbothioamide (CAS 433258-28-7) is a chemical compound with molecular formula C17H18ClN3O2S and molecular weight 363.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chloro-2-methylphenyl)-4-(furan-2-carbonyl)piperazine-1-carbothioamide
Also Known As: N-(4-chloro-2-methylphenyl)-4-(furan-2-carbonyl)piperazine-1-carbothioamide, 4-{[(4-chloro-2-methylphenyl)amino]thioxomethyl}piperazinyl 2-furyl ketone, N-(4-chloro-2-methylphenyl)-4-(furan-2-ylcarbonyl)piperazine-1-carbothioamide, N-(4-CHLORO-2-METHYLPHENYL)-4-(2-FURYLCARBONYL)TETRAHYDRO-1(2H)-PYRAZINECARBOTHIOAMIDE
| Molecular Formula | C17H18ClN3O2S |
|---|---|
| Molecular Weight | 363.08 g/mol |
| LogP | 3.39622 |
| Topological Polar Surface Area | 48.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 363.0808 |
| Heavy Atoms | 24 |
| Complexity | 740.2989 |
Chemical Identifiers
| CAS Number | 433258-28-7 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Cl)NC(=S)N2CCN(CC2)C(=O)C3=CC=CO3 |
Product Overview
N-(4-chloro-2-methylphenyl)-4-(furan-2-carbonyl)piperazine-1-carbothioamide (CAS 433258-28-7), with molecular formula C17H18ClN3O2S and molecular weight 363.08 g/mol. IUPAC: N-(4-chloro-2-methylphenyl)-4-(furan-2-carbonyl)piperazine-1-carbothioamide.
Chemical Property Profile of N-(4-chloro-2-methylphenyl)-4-(furan-2-carbonyl)piperazine-1-carbothioamide
Property Insights of N-(4-chloro-2-methylphenyl)-4-(furan-2-carbonyl)piperazine-1-carbothioamide
The XLogP value of 3.39622 indicates that N-(4-chloro-2-methylphenyl)-4-(furan-2-carbonyl)piperazine-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.72 Ų, N-(4-chloro-2-methylphenyl)-4-(furan-2-carbonyl)piperazine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-chloro-2-methylphenyl)-4-(furan-2-carbonyl)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 N-(4-chloro-2-methylphenyl)-4-(furan-2-carbonyl)piperazine-1-carbothioamide?
The CAS number of N-(4-chloro-2-methylphenyl)-4-(furan-2-carbonyl)piperazine-1-carbothioamide is 433258-28-7.
What is the molecular formula of N-(4-chloro-2-methylphenyl)-4-(furan-2-carbonyl)piperazine-1-carbothioamide?
The molecular formula of N-(4-chloro-2-methylphenyl)-4-(furan-2-carbonyl)piperazine-1-carbothioamide is C17H18ClN3O2S.
What is the molecular weight of N-(4-chloro-2-methylphenyl)-4-(furan-2-carbonyl)piperazine-1-carbothioamide?
The molecular weight of N-(4-chloro-2-methylphenyl)-4-(furan-2-carbonyl)piperazine-1-carbothioamide is 363.08 g/mol.
Where can I buy N-(4-chloro-2-methylphenyl)-4-(furan-2-carbonyl)piperazine-1-carbothioamide?
You can request a quote for N-(4-chloro-2-methylphenyl)-4-(furan-2-carbonyl)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-methylphenyl)-4-(furan-2-carbonyl)piperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-chloro-2-methylphenyl)-4-(furan-2-carbonyl)piperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.