5-hexyl-3-((5-mercapto-4H-1,2,4-triazol-3-yl)methyl)dihydrofuran-2(3H)-one
TL;DR: 5-hexyl-3-((5-mercapto-4H-1,2,4-triazol-3-yl)methyl)dihydrofuran-2(3H)-one (CAS 328068-89-9) is a chemical compound with molecular formula C13H21N3O2S and molecular weight 283.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-hexyl-3-[(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)methyl]oxolan-2-one
Also Known As: 5-hexyl-3-((5-mercapto-4H-1,2,4-triazol-3-yl)methyl)dihydrofuran-2(3H)-one, 5-hexyl-3-[(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)methyl]oxolan-2-one
| Molecular Formula | C13H21N3O2S |
|---|---|
| Molecular Weight | 283.14 g/mol |
| LogP | 2.91189 |
| Topological Polar Surface Area | 70.77 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 283.13544 |
| Heavy Atoms | 19 |
| Complexity | 468.45343 |
Chemical Identifiers
| CAS Number | 328068-89-9 |
|---|---|
| SMILES | CCCCCCC1CC(C(=O)O1)CC2=NC(=S)NN2 |
Product Overview
5-hexyl-3-((5-mercapto-4H-1,2,4-triazol-3-yl)methyl)dihydrofuran-2(3H)-one (CAS 328068-89-9), with molecular formula C13H21N3O2S and molecular weight 283.14 g/mol. IUPAC: 5-hexyl-3-[(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)methyl]oxolan-2-one.
Chemical Property Profile of 5-hexyl-3-((5-mercapto-4H-1,2,4-triazol-3-yl)methyl)dihydrofuran-2(3H)-one
Property Insights of 5-hexyl-3-((5-mercapto-4H-1,2,4-triazol-3-yl)methyl)dihydrofuran-2(3H)-one
The XLogP value of 2.91189 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-hexyl-3-((5-mercapto-4H-1,2,4-triazol-3-yl)methyl)dihydrofuran-2(3H)-one. The TPSA of 70.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-hexyl-3-((5-mercapto-4H-1,2,4-triazol-3-yl)methyl)dihydrofuran-2(3H)-one. Following Lipinski's Rule of Five, 5-hexyl-3-((5-mercapto-4H-1,2,4-triazol-3-yl)methyl)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
Frequently Asked Questions
What is the CAS number of 5-hexyl-3-((5-mercapto-4H-1,2,4-triazol-3-yl)methyl)dihydrofuran-2(3H)-one?
The CAS number of 5-hexyl-3-((5-mercapto-4H-1,2,4-triazol-3-yl)methyl)dihydrofuran-2(3H)-one is 328068-89-9.
What is the molecular formula of 5-hexyl-3-((5-mercapto-4H-1,2,4-triazol-3-yl)methyl)dihydrofuran-2(3H)-one?
The molecular formula of 5-hexyl-3-((5-mercapto-4H-1,2,4-triazol-3-yl)methyl)dihydrofuran-2(3H)-one is C13H21N3O2S.
What is the molecular weight of 5-hexyl-3-((5-mercapto-4H-1,2,4-triazol-3-yl)methyl)dihydrofuran-2(3H)-one?
The molecular weight of 5-hexyl-3-((5-mercapto-4H-1,2,4-triazol-3-yl)methyl)dihydrofuran-2(3H)-one is 283.14 g/mol.
Where can I buy 5-hexyl-3-((5-mercapto-4H-1,2,4-triazol-3-yl)methyl)dihydrofuran-2(3H)-one?
You can request a quote for 5-hexyl-3-((5-mercapto-4H-1,2,4-triazol-3-yl)methyl)dihydrofuran-2(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-hexyl-3-((5-mercapto-4H-1,2,4-triazol-3-yl)methyl)dihydrofuran-2(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5-hexyl-3-((5-mercapto-4H-1,2,4-triazol-3-yl)methyl)dihydrofuran-2(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.