![N-(3-chloro-2-methylphenyl)-2-{1-[(4-methoxyphenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetamide structure](/static/products/1032/1032072-68-6.webp)
N-(3-chloro-2-methylphenyl)-2-{1-[(4-methoxyphenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetamide
TL;DR: N-(3-chloro-2-methylphenyl)-2-{1-[(4-methoxyphenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetamide (CAS 1032072-68-6) 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-(3-chloro-2-methylphenyl)-2-[1-[(4-methoxyphenyl)carbamothioyl]-3-oxopiperazin-2-yl]acetamide
Also Known As: N-(3-chloro-2-methylphenyl)-2-{1-[(4-methoxyphenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetamide, N-(3-Chloro-2-methyl-phenyl)-2-[1-(4-methoxy-phenylthiocarbamoyl)-3-oxo-piperazin-2-yl]-acetamide, N-(3-chloro-2-methylphenyl)-2-(1-((4-methoxyphenyl)carbamothioyl)-3-oxopiperazin-2-yl)acetamide, N-(3-chloro-2-methylphenyl)-2-(1-{[(4-methoxyphenyl)amino]thioxomethyl}-3-oxop iperazin-2-yl)acetamide, N-(3-chloro-2-methylphenyl)-2-[1-[(4-methoxyphenyl)carbamothioyl]-3-oxopiperazin-2-yl]acetamide
| Molecular Formula | C21H23ClN4O3S |
|---|---|
| Molecular Weight | 446.12 g/mol |
| LogP | 3.18302 |
| Topological Polar Surface Area | 82.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 446.11795 |
| Heavy Atoms | 30 |
| Complexity | 951.7677 |
Chemical Identifiers
| CAS Number | 1032072-68-6 |
|---|---|
| SMILES | CC1=C(C=CC=C1Cl)NC(=O)CC2C(=O)NCCN2C(=S)NC3=CC=C(C=C3)OC |
Product Overview
N-(3-chloro-2-methylphenyl)-2-{1-[(4-methoxyphenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetamide (CAS 1032072-68-6), with molecular formula C21H23ClN4O3S and molecular weight 446.12 g/mol. IUPAC: N-(3-chloro-2-methylphenyl)-2-[1-[(4-methoxyphenyl)carbamothioyl]-3-oxopiperazin-2-yl]acetamide.
Chemical Property Profile of N-(3-chloro-2-methylphenyl)-2-{1-[(4-methoxyphenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetamide
Property Insights of N-(3-chloro-2-methylphenyl)-2-{1-[(4-methoxyphenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetamide
The XLogP value of 3.18302 indicates that N-(3-chloro-2-methylphenyl)-2-{1-[(4-methoxyphenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-chloro-2-methylphenyl)-2-{1-[(4-methoxyphenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetamide. Following Lipinski's Rule of Five, N-(3-chloro-2-methylphenyl)-2-{1-[(4-methoxyphenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetamide has 3 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-(3-chloro-2-methylphenyl)-2-{1-[(4-methoxyphenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetamide?
The CAS number of N-(3-chloro-2-methylphenyl)-2-{1-[(4-methoxyphenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetamide is 1032072-68-6.
What is the molecular formula of N-(3-chloro-2-methylphenyl)-2-{1-[(4-methoxyphenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetamide?
The molecular formula of N-(3-chloro-2-methylphenyl)-2-{1-[(4-methoxyphenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetamide is C21H23ClN4O3S.
What is the molecular weight of N-(3-chloro-2-methylphenyl)-2-{1-[(4-methoxyphenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetamide?
The molecular weight of N-(3-chloro-2-methylphenyl)-2-{1-[(4-methoxyphenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetamide is 446.12 g/mol.
Where can I buy N-(3-chloro-2-methylphenyl)-2-{1-[(4-methoxyphenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetamide?
You can request a quote for N-(3-chloro-2-methylphenyl)-2-{1-[(4-methoxyphenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-chloro-2-methylphenyl)-2-{1-[(4-methoxyphenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-chloro-2-methylphenyl)-2-{1-[(4-methoxyphenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.