3-(2-(5-mercapto-4H-1,2,4-triazol-3-yl)ethyl)-5-(propoxymethyl)dihydrofuran-2(3H)-one
TL;DR: 3-(2-(5-mercapto-4H-1,2,4-triazol-3-yl)ethyl)-5-(propoxymethyl)dihydrofuran-2(3H)-one (CAS 105048-28-0) is a chemical compound with molecular formula C12H19N3O3S and molecular weight 285.11472 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(propoxymethyl)-3-[2-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)ethyl]oxolan-2-one
Also Known As: 3-(2-(5-mercapto-4H-1,2,4-triazol-3-yl)ethyl)-5-(propoxymethyl)dihydrofuran-2(3H)-one, 3-[2-(5-Mercapto-4H-[1,2,4]triazol-3-yl)-ethyl]-5-propoxymethyl-dihydro-furan-2-one, 5-(propoxymethyl)-3-[2-(5-sulfanyl-4H-1,2,4-triazol-3-yl)ethyl]dihydrofuran-2(3H)-one (non-preferred name), 5-(propoxymethyl)-3-[2-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)ethyl]oxolan-2-one
Technical Specifications
| Molecular Formula | C12H19N3O3S |
| Molecular Weight | 285.11472 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 285.11472 Da |
| Heavy Atoms | 19 |
| Complexity | 386.0 |
| SMILES | CCCOCC1CC(C(=O)O1)CCC2=NC(=S)NN2 |
| InChIKey | DLOKVDZZFTXQGI-UHFFFAOYSA-N |
Chemical Property Profile of 3-(2-(5-mercapto-4H-1,2,4-triazol-3-yl)ethyl)-5-(propoxymethyl)dihydrofuran-2(3H)-one
Property Insights of 3-(2-(5-mercapto-4H-1,2,4-triazol-3-yl)ethyl)-5-(propoxymethyl)dihydrofuran-2(3H)-one
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-(5-mercapto-4H-1,2,4-triazol-3-yl)ethyl)-5-(propoxymethyl)dihydrofuran-2(3H)-one. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-(5-mercapto-4H-1,2,4-triazol-3-yl)ethyl)-5-(propoxymethyl)dihydrofuran-2(3H)-one. Following Lipinski's Rule of Five, 3-(2-(5-mercapto-4H-1,2,4-triazol-3-yl)ethyl)-5-(propoxymethyl)dihydrofuran-2(3H)-one 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
What is the CAS number of 3-(2-(5-mercapto-4H-1,2,4-triazol-3-yl)ethyl)-5-(propoxymethyl)dihydrofuran-2(3H)-one?
The CAS number of 3-(2-(5-mercapto-4H-1,2,4-triazol-3-yl)ethyl)-5-(propoxymethyl)dihydrofuran-2(3H)-one is 105048-28-0.
What is the molecular formula of 3-(2-(5-mercapto-4H-1,2,4-triazol-3-yl)ethyl)-5-(propoxymethyl)dihydrofuran-2(3H)-one?
The molecular formula of 3-(2-(5-mercapto-4H-1,2,4-triazol-3-yl)ethyl)-5-(propoxymethyl)dihydrofuran-2(3H)-one is C12H19N3O3S.
What is the molecular weight of 3-(2-(5-mercapto-4H-1,2,4-triazol-3-yl)ethyl)-5-(propoxymethyl)dihydrofuran-2(3H)-one?
The molecular weight of 3-(2-(5-mercapto-4H-1,2,4-triazol-3-yl)ethyl)-5-(propoxymethyl)dihydrofuran-2(3H)-one is 285.11472 g/mol.
Where can I buy 3-(2-(5-mercapto-4H-1,2,4-triazol-3-yl)ethyl)-5-(propoxymethyl)dihydrofuran-2(3H)-one?
You can request a quote for 3-(2-(5-mercapto-4H-1,2,4-triazol-3-yl)ethyl)-5-(propoxymethyl)dihydrofuran-2(3H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(2-(5-mercapto-4H-1,2,4-triazol-3-yl)ethyl)-5-(propoxymethyl)dihydrofuran-2(3H)-one?
Yes, CoreyChem provides custom synthesis services for 3-(2-(5-mercapto-4H-1,2,4-triazol-3-yl)ethyl)-5-(propoxymethyl)dihydrofuran-2(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.