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Methyl (1-{[(3-methylphenyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate
TL;DR: Methyl (1-{[(3-methylphenyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate (CAS 1009236-31-0) is a chemical compound with molecular formula C15H19N3O3S and molecular weight 321.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[1-[(3-methylphenyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate
Also Known As: methyl (1-{[(3-methylphenyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate, methyl 2-[1-[(3-methylphenyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate, methyl 2-(3-oxo-1-(m-tolylcarbamothioyl)piperazin-2-yl)acetate, 2-[3-keto-1-(m-tolylthiocarbamoyl)piperazin-2-yl]acetic acid methyl ester, methyl {1-[(3-methylphenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetate
| Molecular Formula | C15H19N3O3S |
|---|---|
| Molecular Weight | 321.11 g/mol |
| LogP | 1.05532 |
| Topological Polar Surface Area | 70.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 321.11472 |
| Heavy Atoms | 22 |
| Complexity | 591.1503 |
Chemical Identifiers
| CAS Number | 1009236-31-0 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=S)N2CCNC(=O)C2CC(=O)OC |
Product Overview
Methyl (1-{[(3-methylphenyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate (CAS 1009236-31-0), with molecular formula C15H19N3O3S and molecular weight 321.11 g/mol. IUPAC: methyl 2-[1-[(3-methylphenyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate.
Chemical Property Profile of Methyl (1-{[(3-methylphenyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate
Property Insights of Methyl (1-{[(3-methylphenyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate
The XLogP value of 1.05532 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (1-{[(3-methylphenyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate. The TPSA of 70.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl (1-{[(3-methylphenyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate. Following Lipinski's Rule of Five, Methyl (1-{[(3-methylphenyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)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-methylphenyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate?
The CAS number of Methyl (1-{[(3-methylphenyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate is 1009236-31-0.
What is the molecular formula of Methyl (1-{[(3-methylphenyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate?
The molecular formula of Methyl (1-{[(3-methylphenyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate is C15H19N3O3S.
What is the molecular weight of Methyl (1-{[(3-methylphenyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate?
The molecular weight of Methyl (1-{[(3-methylphenyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate is 321.11 g/mol.
Where can I buy Methyl (1-{[(3-methylphenyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate?
You can request a quote for Methyl (1-{[(3-methylphenyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)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-methylphenyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (1-{[(3-methylphenyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.