N-((4-(4-(furan-2-carbonyl)piperazin-1-yl)phenyl)carbamothioyl)-2,4-dimethylbenzamide
TL;DR: N-((4-(4-(furan-2-carbonyl)piperazin-1-yl)phenyl)carbamothioyl)-2,4-dimethylbenzamide (CAS 577696-23-2) is a chemical compound with molecular formula C25H26N4O3S and molecular weight 462.17 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]-2,4-dimethylbenzamide
Also Known As: N-((4-(4-(furan-2-carbonyl)piperazin-1-yl)phenyl)carbamothioyl)-2,4-dimethylbenzamide, N-({4-[4-(furan-2-ylcarbonyl)piperazin-1-yl]phenyl}carbamothioyl)-2,4-dimethylbenzamide, N-[[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]-2,4-dimethylbenzamide, N-[[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]thiocarbamoyl]-2,4-dimethyl-benzamide
| Molecular Formula | C25H26N4O3S |
|---|---|
| Molecular Weight | 462.17 g/mol |
| LogP | 3.98564 |
| Topological Polar Surface Area | 77.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 462.17258 |
| Heavy Atoms | 33 |
| Complexity | 1150.9049 |
Chemical Identifiers
| CAS Number | 577696-23-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CO4)C |
Product Overview
N-((4-(4-(furan-2-carbonyl)piperazin-1-yl)phenyl)carbamothioyl)-2,4-dimethylbenzamide (CAS 577696-23-2), with molecular formula C25H26N4O3S and molecular weight 462.17 g/mol. IUPAC: N-[[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]-2,4-dimethylbenzamide.
Chemical Property Profile of N-((4-(4-(furan-2-carbonyl)piperazin-1-yl)phenyl)carbamothioyl)-2,4-dimethylbenzamide
Property Insights of N-((4-(4-(furan-2-carbonyl)piperazin-1-yl)phenyl)carbamothioyl)-2,4-dimethylbenzamide
The XLogP value of 3.98564 indicates that N-((4-(4-(furan-2-carbonyl)piperazin-1-yl)phenyl)carbamothioyl)-2,4-dimethylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.82 Ų falls within the moderate polarity range, balancing permeability and solubility for N-((4-(4-(furan-2-carbonyl)piperazin-1-yl)phenyl)carbamothioyl)-2,4-dimethylbenzamide. Following Lipinski's Rule of Five, N-((4-(4-(furan-2-carbonyl)piperazin-1-yl)phenyl)carbamothioyl)-2,4-dimethylbenzamide has 2 hydrogen bond donor(s) and 5 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)-2,4-dimethylbenzamide?
The CAS number of N-((4-(4-(furan-2-carbonyl)piperazin-1-yl)phenyl)carbamothioyl)-2,4-dimethylbenzamide is 577696-23-2.
What is the molecular formula of N-((4-(4-(furan-2-carbonyl)piperazin-1-yl)phenyl)carbamothioyl)-2,4-dimethylbenzamide?
The molecular formula of N-((4-(4-(furan-2-carbonyl)piperazin-1-yl)phenyl)carbamothioyl)-2,4-dimethylbenzamide is C25H26N4O3S.
What is the molecular weight of N-((4-(4-(furan-2-carbonyl)piperazin-1-yl)phenyl)carbamothioyl)-2,4-dimethylbenzamide?
The molecular weight of N-((4-(4-(furan-2-carbonyl)piperazin-1-yl)phenyl)carbamothioyl)-2,4-dimethylbenzamide is 462.17 g/mol.
Where can I buy N-((4-(4-(furan-2-carbonyl)piperazin-1-yl)phenyl)carbamothioyl)-2,4-dimethylbenzamide?
You can request a quote for N-((4-(4-(furan-2-carbonyl)piperazin-1-yl)phenyl)carbamothioyl)-2,4-dimethylbenzamide 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)-2,4-dimethylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-((4-(4-(furan-2-carbonyl)piperazin-1-yl)phenyl)carbamothioyl)-2,4-dimethylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.