N-((4-(4-(furan-2-carbonyl)piperazin-1-yl)phenyl)carbamothioyl)-4-nitrobenzamide
TL;DR: N-((4-(4-(furan-2-carbonyl)piperazin-1-yl)phenyl)carbamothioyl)-4-nitrobenzamide (CAS 757944-35-7) is a chemical compound with molecular formula C23H21N5O5S and molecular weight 479.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]-4-nitrobenzamide
Also Known As: N-((4-(4-(furan-2-carbonyl)piperazin-1-yl)phenyl)carbamothioyl)-4-nitrobenzamide, N-({4-[4-(furan-2-ylcarbonyl)piperazin-1-yl]phenyl}carbamothioyl)-4-nitrobenzamide, N-[[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]-4-nitrobenzamide, N-[[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]thiocarbamoyl]-4-nitro-benzamide
| Molecular Formula | C23H21N5O5S |
|---|---|
| Molecular Weight | 479.13 g/mol |
| LogP | 3.277 |
| Topological Polar Surface Area | 120.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 479.12634 |
| Heavy Atoms | 34 |
| Complexity | 1187.5035 |
Chemical Identifiers
| CAS Number | 757944-35-7 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=CO4 |
Product Overview
N-((4-(4-(furan-2-carbonyl)piperazin-1-yl)phenyl)carbamothioyl)-4-nitrobenzamide (CAS 757944-35-7), with molecular formula C23H21N5O5S and molecular weight 479.13 g/mol. IUPAC: N-[[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]-4-nitrobenzamide.
Chemical Property Profile of N-((4-(4-(furan-2-carbonyl)piperazin-1-yl)phenyl)carbamothioyl)-4-nitrobenzamide
Property Insights of N-((4-(4-(furan-2-carbonyl)piperazin-1-yl)phenyl)carbamothioyl)-4-nitrobenzamide
The XLogP value of 3.277 indicates that N-((4-(4-(furan-2-carbonyl)piperazin-1-yl)phenyl)carbamothioyl)-4-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.96 Ų falls within the moderate polarity range, balancing permeability and solubility for N-((4-(4-(furan-2-carbonyl)piperazin-1-yl)phenyl)carbamothioyl)-4-nitrobenzamide. Following Lipinski's Rule of Five, N-((4-(4-(furan-2-carbonyl)piperazin-1-yl)phenyl)carbamothioyl)-4-nitrobenzamide has 2 hydrogen bond donor(s) and 7 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-(4-(furan-2-carbonyl)piperazin-1-yl)phenyl)carbamothioyl)-4-nitrobenzamide?
The CAS number of N-((4-(4-(furan-2-carbonyl)piperazin-1-yl)phenyl)carbamothioyl)-4-nitrobenzamide is 757944-35-7.
What is the molecular formula of N-((4-(4-(furan-2-carbonyl)piperazin-1-yl)phenyl)carbamothioyl)-4-nitrobenzamide?
The molecular formula of N-((4-(4-(furan-2-carbonyl)piperazin-1-yl)phenyl)carbamothioyl)-4-nitrobenzamide is C23H21N5O5S.
What is the molecular weight of N-((4-(4-(furan-2-carbonyl)piperazin-1-yl)phenyl)carbamothioyl)-4-nitrobenzamide?
The molecular weight of N-((4-(4-(furan-2-carbonyl)piperazin-1-yl)phenyl)carbamothioyl)-4-nitrobenzamide is 479.13 g/mol.
Where can I buy N-((4-(4-(furan-2-carbonyl)piperazin-1-yl)phenyl)carbamothioyl)-4-nitrobenzamide?
You can request a quote for N-((4-(4-(furan-2-carbonyl)piperazin-1-yl)phenyl)carbamothioyl)-4-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-((4-(4-(furan-2-carbonyl)piperazin-1-yl)phenyl)carbamothioyl)-4-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-((4-(4-(furan-2-carbonyl)piperazin-1-yl)phenyl)carbamothioyl)-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.