![Methyl {1-[(2-chlorophenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetate structure](/static/products/1009/1009183-64-5.webp)
Methyl {1-[(2-chlorophenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetate
TL;DR: Methyl {1-[(2-chlorophenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetate (CAS 1009183-64-5) is a chemical compound with molecular formula C14H16ClN3O3S and molecular weight 341.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[1-[(2-chlorophenyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate
Also Known As: methyl {1-[(2-chlorophenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetate, methyl 2-(1-((2-chlorophenyl)carbamothioyl)-3-oxopiperazin-2-yl)acetate, methyl 2-[1-[(2-chlorophenyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate, methyl (1-{[(2-chlorophenyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate, methyl 2-(1-{[(2-chlorophenyl)amino]thioxomethyl}-3-oxopiperazin-2-yl)acetate
| Molecular Formula | C14H16ClN3O3S |
|---|---|
| Molecular Weight | 341.06 g/mol |
| LogP | 1.4003 |
| Topological Polar Surface Area | 70.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 341.0601 |
| Heavy Atoms | 22 |
| Complexity | 596.45074 |
Chemical Identifiers
| CAS Number | 1009183-64-5 |
|---|---|
| SMILES | COC(=O)CC1C(=O)NCCN1C(=S)NC2=CC=CC=C2Cl |
Product Overview
Methyl {1-[(2-chlorophenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetate (CAS 1009183-64-5), with molecular formula C14H16ClN3O3S and molecular weight 341.06 g/mol. IUPAC: methyl 2-[1-[(2-chlorophenyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate.
Chemical Property Profile of Methyl {1-[(2-chlorophenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetate
Property Insights of Methyl {1-[(2-chlorophenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetate
The XLogP value of 1.4003 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl {1-[(2-chlorophenyl)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-[(2-chlorophenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetate. Following Lipinski's Rule of Five, Methyl {1-[(2-chlorophenyl)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-[(2-chlorophenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetate?
The CAS number of Methyl {1-[(2-chlorophenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetate is 1009183-64-5.
What is the molecular formula of Methyl {1-[(2-chlorophenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetate?
The molecular formula of Methyl {1-[(2-chlorophenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetate is C14H16ClN3O3S.
What is the molecular weight of Methyl {1-[(2-chlorophenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetate?
The molecular weight of Methyl {1-[(2-chlorophenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetate is 341.06 g/mol.
Where can I buy Methyl {1-[(2-chlorophenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetate?
You can request a quote for Methyl {1-[(2-chlorophenyl)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-[(2-chlorophenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl {1-[(2-chlorophenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.