4-(4-nitrophenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperazine-1-carbothioamide
TL;DR: 4-(4-nitrophenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperazine-1-carbothioamide (CAS 777873-24-2) is a chemical compound with molecular formula C16H22N4O5S2 and molecular weight 414.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-nitrophenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperazine-1-carbothioamide
Also Known As: 4-(4-nitrophenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperazine-1-carbothioamide, 4-[(4-nitrophenyl)sulfonyl]-N-(tetrahydrofuran-2-ylmethyl)piperazine-1-carbothioamide, 4-nitro-1-[(4-{[(oxolan-2-ylmethyl)amino]thioxomethyl}piperazinyl)sulfonyl]ben zene
| Molecular Formula | C16H22N4O5S2 |
|---|---|
| Molecular Weight | 414.10 g/mol |
| LogP | 0.9546 |
| Topological Polar Surface Area | 105.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 414.10315 |
| Heavy Atoms | 27 |
| Complexity | 785.53357 |
Chemical Identifiers
| CAS Number | 777873-24-2 |
|---|---|
| SMILES | C1CC(OC1)CNC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
4-(4-nitrophenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperazine-1-carbothioamide (CAS 777873-24-2), with molecular formula C16H22N4O5S2 and molecular weight 414.10 g/mol. IUPAC: 4-(4-nitrophenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperazine-1-carbothioamide.
Chemical Property Profile of 4-(4-nitrophenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperazine-1-carbothioamide
Property Insights of 4-(4-nitrophenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperazine-1-carbothioamide
The XLogP value of 0.9546 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-nitrophenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperazine-1-carbothioamide. The TPSA of 105.02 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-nitrophenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperazine-1-carbothioamide. Following Lipinski's Rule of Five, 4-(4-nitrophenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperazine-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 4-(4-nitrophenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperazine-1-carbothioamide?
The CAS number of 4-(4-nitrophenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperazine-1-carbothioamide is 777873-24-2.
What is the molecular formula of 4-(4-nitrophenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperazine-1-carbothioamide?
The molecular formula of 4-(4-nitrophenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperazine-1-carbothioamide is C16H22N4O5S2.
What is the molecular weight of 4-(4-nitrophenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperazine-1-carbothioamide?
The molecular weight of 4-(4-nitrophenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperazine-1-carbothioamide is 414.10 g/mol.
Where can I buy 4-(4-nitrophenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperazine-1-carbothioamide?
You can request a quote for 4-(4-nitrophenyl)sulfonyl-N-(oxolan-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-nitrophenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-nitrophenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.