1-((4-Allyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)-3,3-dimethyl-2-butanone
TL;DR: 1-((4-Allyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)-3,3-dimethyl-2-butanone (CAS 675844-82-3) is a chemical compound with molecular formula C15H19N3O2S and molecular weight 305.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one
Also Known As: 1-((4-ALLYL-5-(2-FURYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)-3,3-DIMETHYL-2-BUTANONE, 1-((4-Allyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl)thio)-3,3-dimethylbutan-2-one, 1-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one, 1-(5-(2-furyl)-4-prop-2-enyl(1,2,4-triazol-3-ylthio))-3,3-dimethylbutan-2-one, 1-{[4-allyl-5-(2-furyl)-4H-1,2,4-triazol-3-yl]thio}-3,3-dimethyl-2-butanone
| Molecular Formula | C15H19N3O2S |
|---|---|
| Molecular Weight | 305.12 g/mol |
| LogP | 3.4314 |
| Topological Polar Surface Area | 60.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 305.1198 |
| Heavy Atoms | 21 |
| Complexity | 623.8846 |
Chemical Identifiers
| CAS Number | 675844-82-3 |
|---|---|
| SMILES | CC(C)(C)C(=O)CSC1=NN=C(N1CC=C)C2=CC=CO2 |
Product Overview
1-((4-Allyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)-3,3-dimethyl-2-butanone (CAS 675844-82-3), with molecular formula C15H19N3O2S and molecular weight 305.12 g/mol. IUPAC: 1-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one.
Chemical Property Profile of 1-((4-Allyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)-3,3-dimethyl-2-butanone
Property Insights of 1-((4-Allyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)-3,3-dimethyl-2-butanone
The XLogP value of 3.4314 indicates that 1-((4-Allyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)-3,3-dimethyl-2-butanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-((4-Allyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)-3,3-dimethyl-2-butanone. Following Lipinski's Rule of Five, 1-((4-Allyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)-3,3-dimethyl-2-butanone has 0 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 1-((4-Allyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)-3,3-dimethyl-2-butanone?
The CAS number of 1-((4-Allyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)-3,3-dimethyl-2-butanone is 675844-82-3.
What is the molecular formula of 1-((4-Allyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)-3,3-dimethyl-2-butanone?
The molecular formula of 1-((4-Allyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)-3,3-dimethyl-2-butanone is C15H19N3O2S.
What is the molecular weight of 1-((4-Allyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)-3,3-dimethyl-2-butanone?
The molecular weight of 1-((4-Allyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)-3,3-dimethyl-2-butanone is 305.12 g/mol.
Where can I buy 1-((4-Allyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)-3,3-dimethyl-2-butanone?
You can request a quote for 1-((4-Allyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)-3,3-dimethyl-2-butanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-((4-Allyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)-3,3-dimethyl-2-butanone?
Yes, KEHONG BIO provides custom synthesis services for 1-((4-Allyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)-3,3-dimethyl-2-butanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.