![N-[[2-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-2-chloro-4-methylbenzamide structure](/static/products/838/838402-96-3.png)
N-[[2-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-2-chloro-4-methylbenzamide
TL;DR: N-[[2-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-2-chloro-4-methylbenzamide (CAS 838402-96-3) is a chemical compound with molecular formula C21H23ClN4O2S and molecular weight 430.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[2-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-2-chloro-4-methylbenzamide
Also Known As: AP-970/43336983, N-[[2-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-2-chloro-4-methylbenzamide, N-[2-(4-acetyl-1-piperazinyl)phenyl]-N'-(2-chloro-4-methylbenzoyl)thiourea
| Molecular Formula | C21H23ClN4O2S |
|---|---|
| Molecular Weight | 430.12 g/mol |
| LogP | 3.44372 |
| Topological Polar Surface Area | 64.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 430.12302 |
| Heavy Atoms | 29 |
| Complexity | 942.0284 |
Chemical Identifiers
| CAS Number | 838402-96-3 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2N3CCN(CC3)C(=O)C)Cl |
Product Overview
N-[[2-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-2-chloro-4-methylbenzamide (CAS 838402-96-3), with molecular formula C21H23ClN4O2S and molecular weight 430.12 g/mol. IUPAC: N-[[2-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-2-chloro-4-methylbenzamide.
Chemical Property Profile of N-[[2-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-2-chloro-4-methylbenzamide
Property Insights of N-[[2-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-2-chloro-4-methylbenzamide
The XLogP value of 3.44372 indicates that N-[[2-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-2-chloro-4-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-[[2-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-2-chloro-4-methylbenzamide. Following Lipinski's Rule of Five, N-[[2-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-2-chloro-4-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-[[2-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-2-chloro-4-methylbenzamide?
The CAS number of N-[[2-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-2-chloro-4-methylbenzamide is 838402-96-3.
What is the molecular formula of N-[[2-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-2-chloro-4-methylbenzamide?
The molecular formula of N-[[2-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-2-chloro-4-methylbenzamide is C21H23ClN4O2S.
What is the molecular weight of N-[[2-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-2-chloro-4-methylbenzamide?
The molecular weight of N-[[2-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-2-chloro-4-methylbenzamide is 430.12 g/mol.
Where can I buy N-[[2-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-2-chloro-4-methylbenzamide?
You can request a quote for N-[[2-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-2-chloro-4-methylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[[2-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-2-chloro-4-methylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[2-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-2-chloro-4-methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.