4-(4-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)piperazine-1-carbothioamide
TL;DR: 4-(4-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)piperazine-1-carbothioamide (CAS 701924-62-1) is a chemical compound with molecular formula C16H18ClN3O3S2 and molecular weight 399.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)piperazine-1-carbothioamide
Also Known As: CBKinase1_006864, CBKinase1_019264, 4-(4-chlorobenzenesulfonyl)-N-[(furan-2-yl)methyl]piperazine-1-carbothioamide, 4-(4-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)piperazine-1-carbothioamide, BRD-K76426915-001-01-3
| Molecular Formula | C16H18ClN3O3S2 |
|---|---|
| Molecular Weight | 399.05 g/mol |
| LogP | 2.314 |
| Topological Polar Surface Area | 65.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 399.04782 |
| Heavy Atoms | 25 |
| Complexity | 814.81964 |
Chemical Identifiers
| CAS Number | 701924-62-1 |
|---|---|
| SMILES | C1CN(CCN1C(=S)NCC2=CC=CO2)S(=O)(=O)C3=CC=C(C=C3)Cl |
Product Overview
4-(4-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)piperazine-1-carbothioamide (CAS 701924-62-1), with molecular formula C16H18ClN3O3S2 and molecular weight 399.05 g/mol. IUPAC: 4-(4-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)piperazine-1-carbothioamide.
Chemical Property Profile of 4-(4-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)piperazine-1-carbothioamide
Property Insights of 4-(4-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)piperazine-1-carbothioamide
The XLogP value of 2.314 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)piperazine-1-carbothioamide. The TPSA of 65.79 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)piperazine-1-carbothioamide. Following Lipinski's Rule of Five, 4-(4-chlorophenyl)sulfonyl-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-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)piperazine-1-carbothioamide?
The CAS number of 4-(4-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)piperazine-1-carbothioamide is 701924-62-1.
What is the molecular formula of 4-(4-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)piperazine-1-carbothioamide?
The molecular formula of 4-(4-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)piperazine-1-carbothioamide is C16H18ClN3O3S2.
What is the molecular weight of 4-(4-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)piperazine-1-carbothioamide?
The molecular weight of 4-(4-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)piperazine-1-carbothioamide is 399.05 g/mol.
Where can I buy 4-(4-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)piperazine-1-carbothioamide?
You can request a quote for 4-(4-chlorophenyl)sulfonyl-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-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)piperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)piperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.