5-methyl-5-(2-((5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetyl)-4-propyldihydrofuran-2(3H)-one hydrobromide
TL;DR: 5-methyl-5-(2-((5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetyl)-4-propyldihydrofuran-2(3H)-one hydrobromide (CAS 1052527-34-0) is a chemical compound with molecular formula C18H22BrN3O3S and molecular weight 439.05652 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-methyl-5-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-4-propyloxolan-2-one;hydrobromide
Also Known As: 5-methyl-5-(2-((5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetyl)-4-propyldihydrofuran-2(3H)-one hydrobromide, 5-methyl-5-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-4-propyloxolan-2-one hydrobromide
Technical Specifications
| Molecular Formula | C18H22BrN3O3S |
| Molecular Weight | 439.05652 g/mol |
| XLogP | 3.8327 |
| Topological Polar Surface Area (TPSA) | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 439.05652 Da |
| Heavy Atoms | 26 |
| Complexity | 498.0 |
| SMILES | CCCC1CC(=O)OC1(C)C(=O)CSC2=NNC(=N2)C3=CC=CC=C3.Br |
| InChIKey | CDUKKDDUBGQFBF-UHFFFAOYSA-N |
Chemical Property Profile of 5-methyl-5-(2-((5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetyl)-4-propyldihydrofuran-2(3H)-one hydrobromide
Property Insights of 5-methyl-5-(2-((5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetyl)-4-propyldihydrofuran-2(3H)-one hydrobromide
The XLogP value of 3.8327 indicates that 5-methyl-5-(2-((5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetyl)-4-propyldihydrofuran-2(3H)-one hydrobromide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-methyl-5-(2-((5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetyl)-4-propyldihydrofuran-2(3H)-one hydrobromide. Following Lipinski's Rule of Five, 5-methyl-5-(2-((5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetyl)-4-propyldihydrofuran-2(3H)-one hydrobromide has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-methyl-5-(2-((5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetyl)-4-propyldihydrofuran-2(3H)-one hydrobromide?
The CAS number of 5-methyl-5-(2-((5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetyl)-4-propyldihydrofuran-2(3H)-one hydrobromide is 1052527-34-0.
What is the molecular formula of 5-methyl-5-(2-((5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetyl)-4-propyldihydrofuran-2(3H)-one hydrobromide?
The molecular formula of 5-methyl-5-(2-((5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetyl)-4-propyldihydrofuran-2(3H)-one hydrobromide is C18H22BrN3O3S.
What is the molecular weight of 5-methyl-5-(2-((5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetyl)-4-propyldihydrofuran-2(3H)-one hydrobromide?
The molecular weight of 5-methyl-5-(2-((5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetyl)-4-propyldihydrofuran-2(3H)-one hydrobromide is 439.05652 g/mol.
Where can I buy 5-methyl-5-(2-((5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetyl)-4-propyldihydrofuran-2(3H)-one hydrobromide?
You can request a quote for 5-methyl-5-(2-((5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetyl)-4-propyldihydrofuran-2(3H)-one hydrobromide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-methyl-5-(2-((5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetyl)-4-propyldihydrofuran-2(3H)-one hydrobromide?
Yes, CoreyChem provides custom synthesis services for 5-methyl-5-(2-((5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetyl)-4-propyldihydrofuran-2(3H)-one hydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.