N-(2-methoxy-4-nitrophenyl)-4-(oxolane-2-carbonyl)piperazine-1-carbothioamide
TL;DR: N-(2-methoxy-4-nitrophenyl)-4-(oxolane-2-carbonyl)piperazine-1-carbothioamide (CAS 701281-51-8) is a chemical compound with molecular formula C17H22N4O5S and molecular weight 394.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-methoxy-4-nitrophenyl)-4-(oxolane-2-carbonyl)piperazine-1-carbothioamide
Also Known As: N-(2-methoxy-4-nitrophenyl)-4-(oxolane-2-carbonyl)piperazine-1-carbothioamide, N-(2-methoxy-4-nitrophenyl)-4-(tetrahydrofuran-2-ylcarbonyl)piperazine-1-carbothioamide, 4-{[(2-methoxy-4-nitrophenyl)amino]thioxomethyl}piperazinyl oxolan-2-yl ketone
| Molecular Formula | C17H22N4O5S |
|---|---|
| Molecular Weight | 394.13 g/mol |
| LogP | 1.6234 |
| Topological Polar Surface Area | 97.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.1311 |
| Heavy Atoms | 27 |
| Complexity | 730.034 |
Chemical Identifiers
| CAS Number | 701281-51-8 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)N2CCN(CC2)C(=O)C3CCCO3 |
Product Overview
N-(2-methoxy-4-nitrophenyl)-4-(oxolane-2-carbonyl)piperazine-1-carbothioamide (CAS 701281-51-8), with molecular formula C17H22N4O5S and molecular weight 394.13 g/mol. IUPAC: N-(2-methoxy-4-nitrophenyl)-4-(oxolane-2-carbonyl)piperazine-1-carbothioamide.
Chemical Property Profile of N-(2-methoxy-4-nitrophenyl)-4-(oxolane-2-carbonyl)piperazine-1-carbothioamide
Property Insights of N-(2-methoxy-4-nitrophenyl)-4-(oxolane-2-carbonyl)piperazine-1-carbothioamide
The XLogP value of 1.6234 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-methoxy-4-nitrophenyl)-4-(oxolane-2-carbonyl)piperazine-1-carbothioamide. The TPSA of 97.18 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-methoxy-4-nitrophenyl)-4-(oxolane-2-carbonyl)piperazine-1-carbothioamide. Following Lipinski's Rule of Five, N-(2-methoxy-4-nitrophenyl)-4-(oxolane-2-carbonyl)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 N-(2-methoxy-4-nitrophenyl)-4-(oxolane-2-carbonyl)piperazine-1-carbothioamide?
The CAS number of N-(2-methoxy-4-nitrophenyl)-4-(oxolane-2-carbonyl)piperazine-1-carbothioamide is 701281-51-8.
What is the molecular formula of N-(2-methoxy-4-nitrophenyl)-4-(oxolane-2-carbonyl)piperazine-1-carbothioamide?
The molecular formula of N-(2-methoxy-4-nitrophenyl)-4-(oxolane-2-carbonyl)piperazine-1-carbothioamide is C17H22N4O5S.
What is the molecular weight of N-(2-methoxy-4-nitrophenyl)-4-(oxolane-2-carbonyl)piperazine-1-carbothioamide?
The molecular weight of N-(2-methoxy-4-nitrophenyl)-4-(oxolane-2-carbonyl)piperazine-1-carbothioamide is 394.13 g/mol.
Where can I buy N-(2-methoxy-4-nitrophenyl)-4-(oxolane-2-carbonyl)piperazine-1-carbothioamide?
You can request a quote for N-(2-methoxy-4-nitrophenyl)-4-(oxolane-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-(2-methoxy-4-nitrophenyl)-4-(oxolane-2-carbonyl)piperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-methoxy-4-nitrophenyl)-4-(oxolane-2-carbonyl)piperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.