![3-Hexyl-5-(4H-[1,2,4]triazol-3-ylsulfanylmethyl)-dihydro-furan-2-one structure](/static/products/334/334506-86-4.png)
3-Hexyl-5-(4H-[1,2,4]triazol-3-ylsulfanylmethyl)-dihydro-furan-2-one
TL;DR: 3-Hexyl-5-(4H-[1,2,4]triazol-3-ylsulfanylmethyl)-dihydro-furan-2-one (CAS 334506-86-4) 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.
3-hexyl-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)oxolan-2-one
Also Known As: BAS 01077390, 3-Hexyl-5-(4H-[1,2,4]triazol-3-ylsulfanylmethyl)-dihydro-furan-2-one, 3-hexyl-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)oxolan-2-one, 3-hexyl-5-[(1H-1,2,4-triazol-5-ylthio)methyl]-2-oxolanone, 3-hexyl-5-(4H-1,2,4-triazol-3-ylthiomethyl)-3,4,5-trihydrofuran-2-one
| Molecular Formula | C13H21N3O2S |
|---|---|
| Molecular Weight | 283.14 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 93.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 283.13544 |
| Heavy Atoms | 19 |
| Complexity | 291.0 |
Chemical Identifiers
| CAS Number | 334506-86-4 |
|---|---|
| SMILES | CCCCCCC1CC(OC1=O)CSC2=NC=NN2 |
| InChIKey | KDNSRQZQDQQWDU-UHFFFAOYSA-N |
Product Overview
3-Hexyl-5-(4H-[1,2,4]triazol-3-ylsulfanylmethyl)-dihydro-furan-2-one (CAS 334506-86-4), with molecular formula C13H21N3O2S and molecular weight 283.14 g/mol. IUPAC: 3-hexyl-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)oxolan-2-one.
Chemical Property Profile of 3-Hexyl-5-(4H-[1,2,4]triazol-3-ylsulfanylmethyl)-dihydro-furan-2-one
Property Insights of 3-Hexyl-5-(4H-[1,2,4]triazol-3-ylsulfanylmethyl)-dihydro-furan-2-one
The XLogP value of 3.9 indicates that 3-Hexyl-5-(4H-[1,2,4]triazol-3-ylsulfanylmethyl)-dihydro-furan-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Hexyl-5-(4H-[1,2,4]triazol-3-ylsulfanylmethyl)-dihydro-furan-2-one. Following Lipinski's Rule of Five, 3-Hexyl-5-(4H-[1,2,4]triazol-3-ylsulfanylmethyl)-dihydro-furan-2-one has 1 hydrogen bond donor(s) and 5 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 3-Hexyl-5-(4H-[1,2,4]triazol-3-ylsulfanylmethyl)-dihydro-furan-2-one?
The CAS number of 3-Hexyl-5-(4H-[1,2,4]triazol-3-ylsulfanylmethyl)-dihydro-furan-2-one is 334506-86-4.
What is the molecular formula of 3-Hexyl-5-(4H-[1,2,4]triazol-3-ylsulfanylmethyl)-dihydro-furan-2-one?
The molecular formula of 3-Hexyl-5-(4H-[1,2,4]triazol-3-ylsulfanylmethyl)-dihydro-furan-2-one is C13H21N3O2S.
What is the molecular weight of 3-Hexyl-5-(4H-[1,2,4]triazol-3-ylsulfanylmethyl)-dihydro-furan-2-one?
The molecular weight of 3-Hexyl-5-(4H-[1,2,4]triazol-3-ylsulfanylmethyl)-dihydro-furan-2-one is 283.14 g/mol.
Where can I buy 3-Hexyl-5-(4H-[1,2,4]triazol-3-ylsulfanylmethyl)-dihydro-furan-2-one?
You can request a quote for 3-Hexyl-5-(4H-[1,2,4]triazol-3-ylsulfanylmethyl)-dihydro-furan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hexyl-5-(4H-[1,2,4]triazol-3-ylsulfanylmethyl)-dihydro-furan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Hexyl-5-(4H-[1,2,4]triazol-3-ylsulfanylmethyl)-dihydro-furan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.