N-(furan-2-ylmethyl)-4-(4-nitrophenyl)sulfonylpiperazine-1-carbothioamide
TL;DR: N-(furan-2-ylmethyl)-4-(4-nitrophenyl)sulfonylpiperazine-1-carbothioamide (CAS 774546-34-8) is a chemical compound with molecular formula C16H18N4O5S2 and molecular weight 410.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(furan-2-ylmethyl)-4-(4-nitrophenyl)sulfonylpiperazine-1-carbothioamide
Also Known As: CBKinase1_008746, CBKinase1_021146, BRD-K39261113-001-01-0, N-(furan-2-ylmethyl)-4-(4-nitrophenyl)sulfonylpiperazine-1-carbothioamide, N-(furan-2-ylmethyl)-4-[(4-nitrophenyl)sulfonyl]piperazine-1-carbothioamide
| Molecular Formula | C16H18N4O5S2 |
|---|---|
| Molecular Weight | 410.07 g/mol |
| LogP | 1.5688 |
| Topological Polar Surface Area | 108.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 410.07187 |
| Heavy Atoms | 27 |
| Complexity | 904.7971 |
Chemical Identifiers
| CAS Number | 774546-34-8 |
|---|---|
| SMILES | C1CN(CCN1C(=S)NCC2=CC=CO2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
N-(furan-2-ylmethyl)-4-(4-nitrophenyl)sulfonylpiperazine-1-carbothioamide (CAS 774546-34-8), with molecular formula C16H18N4O5S2 and molecular weight 410.07 g/mol. IUPAC: N-(furan-2-ylmethyl)-4-(4-nitrophenyl)sulfonylpiperazine-1-carbothioamide.
Chemical Property Profile of N-(furan-2-ylmethyl)-4-(4-nitrophenyl)sulfonylpiperazine-1-carbothioamide
Property Insights of N-(furan-2-ylmethyl)-4-(4-nitrophenyl)sulfonylpiperazine-1-carbothioamide
The XLogP value of 1.5688 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(furan-2-ylmethyl)-4-(4-nitrophenyl)sulfonylpiperazine-1-carbothioamide. The TPSA of 108.93 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(furan-2-ylmethyl)-4-(4-nitrophenyl)sulfonylpiperazine-1-carbothioamide. Following Lipinski's Rule of Five, N-(furan-2-ylmethyl)-4-(4-nitrophenyl)sulfonylpiperazine-1-carbothioamide has 1 hydrogen bond donor(s) and 6 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-(furan-2-ylmethyl)-4-(4-nitrophenyl)sulfonylpiperazine-1-carbothioamide?
The CAS number of N-(furan-2-ylmethyl)-4-(4-nitrophenyl)sulfonylpiperazine-1-carbothioamide is 774546-34-8.
What is the molecular formula of N-(furan-2-ylmethyl)-4-(4-nitrophenyl)sulfonylpiperazine-1-carbothioamide?
The molecular formula of N-(furan-2-ylmethyl)-4-(4-nitrophenyl)sulfonylpiperazine-1-carbothioamide is C16H18N4O5S2.
What is the molecular weight of N-(furan-2-ylmethyl)-4-(4-nitrophenyl)sulfonylpiperazine-1-carbothioamide?
The molecular weight of N-(furan-2-ylmethyl)-4-(4-nitrophenyl)sulfonylpiperazine-1-carbothioamide is 410.07 g/mol.
Where can I buy N-(furan-2-ylmethyl)-4-(4-nitrophenyl)sulfonylpiperazine-1-carbothioamide?
You can request a quote for N-(furan-2-ylmethyl)-4-(4-nitrophenyl)sulfonylpiperazine-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-(furan-2-ylmethyl)-4-(4-nitrophenyl)sulfonylpiperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(furan-2-ylmethyl)-4-(4-nitrophenyl)sulfonylpiperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.