![N-[[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-3-chloro-4-methoxybenzamide structure](/static/products/3337/333738-93-5.webp)
N-[[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-3-chloro-4-methoxybenzamide
TL;DR: N-[[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-3-chloro-4-methoxybenzamide (CAS 333738-93-5) is a chemical compound with molecular formula C21H23ClN4O3S and molecular weight 446.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-3-chloro-4-methoxybenzamide
Also Known As: BAS 02819840, N-[[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-3-chloro-4-methoxybenzamide, N-{[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl}-3-chloro-4-methoxybenzamide, 1-[4-(4-Acetyl-piperazin-1-yl)-phenyl]-3-(3-chloro-4-methoxy-benzoyl)-thiourea, N-((4-(4-acetylpiperazin-1-yl)phenyl)carbamothioyl)-3-chloro-4-methoxybenzamide
| Molecular Formula | C21H23ClN4O3S |
|---|---|
| Molecular Weight | 446.12 g/mol |
| LogP | 3.1439 |
| Topological Polar Surface Area | 73.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 446.11795 |
| Heavy Atoms | 30 |
| Complexity | 943.7677 |
Chemical Identifiers
| CAS Number | 333738-93-5 |
|---|---|
| SMILES | CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)OC)Cl |
Product Overview
N-[[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-3-chloro-4-methoxybenzamide (CAS 333738-93-5), with molecular formula C21H23ClN4O3S and molecular weight 446.12 g/mol. IUPAC: N-[[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-3-chloro-4-methoxybenzamide.
Chemical Property Profile of N-[[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-3-chloro-4-methoxybenzamide
Property Insights of N-[[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-3-chloro-4-methoxybenzamide
The XLogP value of 3.1439 indicates that N-[[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-3-chloro-4-methoxybenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.91 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-3-chloro-4-methoxybenzamide. Following Lipinski's Rule of Five, N-[[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-3-chloro-4-methoxybenzamide 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-acetylpiperazin-1-yl)phenyl]carbamothioyl]-3-chloro-4-methoxybenzamide?
The CAS number of N-[[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-3-chloro-4-methoxybenzamide is 333738-93-5.
What is the molecular formula of N-[[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-3-chloro-4-methoxybenzamide?
The molecular formula of N-[[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-3-chloro-4-methoxybenzamide is C21H23ClN4O3S.
What is the molecular weight of N-[[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-3-chloro-4-methoxybenzamide?
The molecular weight of N-[[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-3-chloro-4-methoxybenzamide is 446.12 g/mol.
Where can I buy N-[[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-3-chloro-4-methoxybenzamide?
You can request a quote for N-[[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-3-chloro-4-methoxybenzamide 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-acetylpiperazin-1-yl)phenyl]carbamothioyl]-3-chloro-4-methoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-3-chloro-4-methoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.