![N-[[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]-2-methylbenzamide structure](/static/products/6909/690980-63-3.webp)
N-[[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]-2-methylbenzamide
TL;DR: N-[[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]-2-methylbenzamide (CAS 690980-63-3) is a chemical compound with molecular formula C26H25ClN4O2S and molecular weight 492.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]-2-methylbenzamide
Also Known As: N-[[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]-2-methylbenzamide, N-((4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl)carbamothioyl)-2-methylbenzamide, N-({3-chloro-4-[4-(phenylcarbonyl)piperazin-1-yl]phenyl}carbamothioyl)-2-methylbenzamide, N-[[4-(4-benzoylpiperazin-1-yl)-3-chloro-phenyl]thiocarbamoyl]-2-methyl-benzamide
| Molecular Formula | C26H25ClN4O2S |
|---|---|
| Molecular Weight | 492.14 g/mol |
| LogP | 4.73762 |
| Topological Polar Surface Area | 64.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 492.13867 |
| Heavy Atoms | 34 |
| Complexity | 1210.4323 |
Chemical Identifiers
| CAS Number | 690980-63-3 |
|---|---|
| SMILES | CC1=CC=CC=C1C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4)Cl |
Product Overview
N-[[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]-2-methylbenzamide (CAS 690980-63-3), with molecular formula C26H25ClN4O2S and molecular weight 492.14 g/mol. IUPAC: N-[[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]-2-methylbenzamide.
Chemical Property Profile of N-[[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]-2-methylbenzamide
Property Insights of N-[[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]-2-methylbenzamide
The XLogP value of 4.73762 indicates that N-[[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]-2-methylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.68 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]-2-methylbenzamide. Following Lipinski's Rule of Five, N-[[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]-2-methylbenzamide has 2 hydrogen bond donor(s) and 4 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-benzoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]-2-methylbenzamide?
The CAS number of N-[[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]-2-methylbenzamide is 690980-63-3.
What is the molecular formula of N-[[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]-2-methylbenzamide?
The molecular formula of N-[[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]-2-methylbenzamide is C26H25ClN4O2S.
What is the molecular weight of N-[[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]-2-methylbenzamide?
The molecular weight of N-[[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]-2-methylbenzamide is 492.14 g/mol.
Where can I buy N-[[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]-2-methylbenzamide?
You can request a quote for N-[[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]-2-methylbenzamide 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-benzoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]-2-methylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]-2-methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.