![Methyl {1-[(3-methoxyphenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetate structure](/static/products/1092/1092797-54-0.webp)
Methyl {1-[(3-methoxyphenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetate
TL;DR: Methyl {1-[(3-methoxyphenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetate (CAS 1092797-54-0) is a chemical compound with molecular formula C15H19N3O4S and molecular weight 337.10962 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[1-[(3-methoxyphenyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate
Also Known As: CBKinase1_004609, CBKinase1_017009, methyl {1-[(3-methoxyphenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetate, BRD-A58658489-001-01-1, methyl 2-(1-((3-methoxyphenyl)carbamothioyl)-3-oxopiperazin-2-yl)acetate
Technical Specifications
| Molecular Formula | C15H19N3O4S |
| Molecular Weight | 337.10962 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 337.10962 Da |
| Heavy Atoms | 23 |
| Complexity | 460.0 |
| SMILES | COC1=CC=CC(=C1)NC(=S)N2CCNC(=O)C2CC(=O)OC |
| InChIKey | UFFQJLDPDJPFEF-UHFFFAOYSA-N |
Chemical Property Profile of Methyl {1-[(3-methoxyphenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetate
Property Insights of Methyl {1-[(3-methoxyphenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl {1-[(3-methoxyphenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetate. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl {1-[(3-methoxyphenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetate. Following Lipinski's Rule of Five, Methyl {1-[(3-methoxyphenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetate 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
What is the CAS number of Methyl {1-[(3-methoxyphenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetate?
The CAS number of Methyl {1-[(3-methoxyphenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetate is 1092797-54-0.
What is the molecular formula of Methyl {1-[(3-methoxyphenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetate?
The molecular formula of Methyl {1-[(3-methoxyphenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetate is C15H19N3O4S.
What is the molecular weight of Methyl {1-[(3-methoxyphenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetate?
The molecular weight of Methyl {1-[(3-methoxyphenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetate is 337.10962 g/mol.
Where can I buy Methyl {1-[(3-methoxyphenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetate?
You can request a quote for Methyl {1-[(3-methoxyphenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl {1-[(3-methoxyphenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetate?
Yes, CoreyChem provides custom synthesis services for Methyl {1-[(3-methoxyphenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.