5-((3,3-Dimethyl-2-oxobutyl)thio)-4-propyl-2,4-dihydro-3h-1,2,4-triazol-3-one
TL;DR: 5-((3,3-Dimethyl-2-oxobutyl)thio)-4-propyl-2,4-dihydro-3h-1,2,4-triazol-3-one (CAS 876576-25-9) is a chemical compound with molecular formula C11H19N3O2S and molecular weight 257.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,3-dimethyl-2-oxobutyl)sulfanyl-4-propyl-1H-1,2,4-triazol-5-one
Also Known As: 5-((3,3-Dimethyl-2-oxobutyl)thio)-4-propyl-2,4-dihydro-3h-1,2,4-triazol-3-one, 3-(3,3-dimethyl-2-oxobutyl)sulfanyl-4-propyl-1H-1,2,4-triazol-5-one
| Molecular Formula | C11H19N3O2S |
|---|---|
| Molecular Weight | 257.12 g/mol |
| LogP | 1.6887 |
| Topological Polar Surface Area | 67.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 257.1198 |
| Heavy Atoms | 17 |
| Complexity | 442.3044 |
Chemical Identifiers
| CAS Number | 876576-25-9 |
|---|---|
| SMILES | CCCN1C(=O)NN=C1SCC(=O)C(C)(C)C |
Product Overview
5-((3,3-Dimethyl-2-oxobutyl)thio)-4-propyl-2,4-dihydro-3h-1,2,4-triazol-3-one (CAS 876576-25-9), with molecular formula C11H19N3O2S and molecular weight 257.12 g/mol. IUPAC: 3-(3,3-dimethyl-2-oxobutyl)sulfanyl-4-propyl-1H-1,2,4-triazol-5-one.
Chemical Property Profile of 5-((3,3-Dimethyl-2-oxobutyl)thio)-4-propyl-2,4-dihydro-3h-1,2,4-triazol-3-one
Property Insights of 5-((3,3-Dimethyl-2-oxobutyl)thio)-4-propyl-2,4-dihydro-3h-1,2,4-triazol-3-one
The XLogP value of 1.6887 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-((3,3-Dimethyl-2-oxobutyl)thio)-4-propyl-2,4-dihydro-3h-1,2,4-triazol-3-one. The TPSA of 67.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-((3,3-Dimethyl-2-oxobutyl)thio)-4-propyl-2,4-dihydro-3h-1,2,4-triazol-3-one. Following Lipinski's Rule of Five, 5-((3,3-Dimethyl-2-oxobutyl)thio)-4-propyl-2,4-dihydro-3h-1,2,4-triazol-3-one has 1 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-((3,3-Dimethyl-2-oxobutyl)thio)-4-propyl-2,4-dihydro-3h-1,2,4-triazol-3-one?
The CAS number of 5-((3,3-Dimethyl-2-oxobutyl)thio)-4-propyl-2,4-dihydro-3h-1,2,4-triazol-3-one is 876576-25-9.
What is the molecular formula of 5-((3,3-Dimethyl-2-oxobutyl)thio)-4-propyl-2,4-dihydro-3h-1,2,4-triazol-3-one?
The molecular formula of 5-((3,3-Dimethyl-2-oxobutyl)thio)-4-propyl-2,4-dihydro-3h-1,2,4-triazol-3-one is C11H19N3O2S.
What is the molecular weight of 5-((3,3-Dimethyl-2-oxobutyl)thio)-4-propyl-2,4-dihydro-3h-1,2,4-triazol-3-one?
The molecular weight of 5-((3,3-Dimethyl-2-oxobutyl)thio)-4-propyl-2,4-dihydro-3h-1,2,4-triazol-3-one is 257.12 g/mol.
Where can I buy 5-((3,3-Dimethyl-2-oxobutyl)thio)-4-propyl-2,4-dihydro-3h-1,2,4-triazol-3-one?
You can request a quote for 5-((3,3-Dimethyl-2-oxobutyl)thio)-4-propyl-2,4-dihydro-3h-1,2,4-triazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-((3,3-Dimethyl-2-oxobutyl)thio)-4-propyl-2,4-dihydro-3h-1,2,4-triazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 5-((3,3-Dimethyl-2-oxobutyl)thio)-4-propyl-2,4-dihydro-3h-1,2,4-triazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.