![Methyl {1-[(3,5-dimethylphenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetate structure](/static/products/1009/1009166-32-8.webp)
Methyl {1-[(3,5-dimethylphenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetate
TL;DR: Methyl {1-[(3,5-dimethylphenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetate (CAS 1009166-32-8) is a chemical compound with molecular formula C16H21N3O3S and molecular weight 335.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[1-[(3,5-dimethylphenyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate
Also Known As: methyl {1-[(3,5-dimethylphenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetate, methyl (1-{[(3,5-dimethylphenyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate, methyl 2-(1-((3,5-dimethylphenyl)carbamothioyl)-3-oxopiperazin-2-yl)acetate, methyl 2-(1-{[(3,5-dimethylphenyl)amino]thioxomethyl}-3-oxopiperazin-2-yl)acet ate, methyl 2-[1-[(3,5-dimethylphenyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate
| Molecular Formula | C16H21N3O3S |
|---|---|
| Molecular Weight | 335.13 g/mol |
| LogP | 1.36374 |
| Topological Polar Surface Area | 70.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 335.13037 |
| Heavy Atoms | 23 |
| Complexity | 612.7465 |
Chemical Identifiers
| CAS Number | 1009166-32-8 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)NC(=S)N2CCNC(=O)C2CC(=O)OC)C |
Product Overview
Methyl {1-[(3,5-dimethylphenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetate (CAS 1009166-32-8), with molecular formula C16H21N3O3S and molecular weight 335.13 g/mol. IUPAC: methyl 2-[1-[(3,5-dimethylphenyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate.
Chemical Property Profile of Methyl {1-[(3,5-dimethylphenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetate
Property Insights of Methyl {1-[(3,5-dimethylphenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetate
The XLogP value of 1.36374 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl {1-[(3,5-dimethylphenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetate. The TPSA of 70.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl {1-[(3,5-dimethylphenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetate. Following Lipinski's Rule of Five, Methyl {1-[(3,5-dimethylphenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetate 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 Methyl {1-[(3,5-dimethylphenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetate?
The CAS number of Methyl {1-[(3,5-dimethylphenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetate is 1009166-32-8.
What is the molecular formula of Methyl {1-[(3,5-dimethylphenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetate?
The molecular formula of Methyl {1-[(3,5-dimethylphenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetate is C16H21N3O3S.
What is the molecular weight of Methyl {1-[(3,5-dimethylphenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetate?
The molecular weight of Methyl {1-[(3,5-dimethylphenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetate is 335.13 g/mol.
Where can I buy Methyl {1-[(3,5-dimethylphenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetate?
You can request a quote for Methyl {1-[(3,5-dimethylphenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl {1-[(3,5-dimethylphenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl {1-[(3,5-dimethylphenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.