RefChem:592860
TL;DR: RefChem:592860 (CAS 126651-80-7) is a chemical compound with molecular formula C12H22N6O4S2 and molecular weight 378.1144 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl N-[[4-(ethoxycarbonylcarbamothioylamino)piperazin-1-yl]carbamothioyl]carbamate
Also Known As: AE-641/40198016, Ethyl {[4-({[(ethoxycarbonyl)amino]carbothioyl}amino)-1-piperazinyl]amino}carbothioylcarbamate, ethyl N-[[4-(ethoxycarbonylcarbamothioylamino)piperazin-1-yl]carbamothioyl]carbamate, Ethyl N-[[4-(ethoxycarbonylthiocarbamoylamino)piperazin-1-yl]thiocarbamoyl]carbamate, 663-748-2
Technical Specifications
| Molecular Formula | C12H22N6O4S2 |
| Molecular Weight | 378.1144 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 171.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 378.1144 Da |
| Heavy Atoms | 24 |
| Complexity | 428.0 |
| SMILES | CCOC(=O)NC(=S)NN1CCN(CC1)NC(=S)NC(=O)OCC |
| InChIKey | XIXBXAFKQCPZPV-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:592860
Property Insights of RefChem:592860
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:592860. The TPSA of 171.0 Ų indicates high polarity, suggesting RefChem:592860 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:592860 has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:592860?
The CAS number of RefChem:592860 is 126651-80-7.
What is the molecular formula of RefChem:592860?
The molecular formula of RefChem:592860 is C12H22N6O4S2.
What is the molecular weight of RefChem:592860?
The molecular weight of RefChem:592860 is 378.1144 g/mol.
Where can I buy RefChem:592860?
You can request a quote for RefChem:592860 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:592860?
Yes, CoreyChem provides custom synthesis services for RefChem:592860 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.