5-(2-furyl)-4-phenyl-4H-1,2,4-triazol-3-yl (2-methyl-1,3-thiazol-4-yl)methyl sulfide
TL;DR: 5-(2-furyl)-4-phenyl-4H-1,2,4-triazol-3-yl (2-methyl-1,3-thiazol-4-yl)methyl sulfide (CAS 728001-01-2) is a chemical compound with molecular formula C17H14N4OS2 and molecular weight 354.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-methyl-1,3-thiazole
Also Known As: 5-(2-furyl)-4-phenyl-4H-1,2,4-triazol-3-yl (2-methyl-1,3-thiazol-4-yl)methyl sulfide, AO-080/43441950, A3826/0162474, 4-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-methyl-1,3-thiazole, 3-(2-furyl)-5-{[(2-methyl-1,3-thiazol-4-yl)methyl]thio}-4-phenyl-4H-1,2,4-triazole
| Molecular Formula | C17H14N4OS2 |
|---|---|
| Molecular Weight | 354.06 g/mol |
| LogP | 4.58452 |
| Topological Polar Surface Area | 56.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 354.0609 |
| Heavy Atoms | 24 |
| Complexity | 928.8375 |
Chemical Identifiers
| CAS Number | 728001-01-2 |
|---|---|
| SMILES | CC1=NC(=CS1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CO4 |
Product Overview
5-(2-furyl)-4-phenyl-4H-1,2,4-triazol-3-yl (2-methyl-1,3-thiazol-4-yl)methyl sulfide (CAS 728001-01-2), with molecular formula C17H14N4OS2 and molecular weight 354.06 g/mol. IUPAC: 4-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-methyl-1,3-thiazole.
Chemical Property Profile of 5-(2-furyl)-4-phenyl-4H-1,2,4-triazol-3-yl (2-methyl-1,3-thiazol-4-yl)methyl sulfide
Property Insights of 5-(2-furyl)-4-phenyl-4H-1,2,4-triazol-3-yl (2-methyl-1,3-thiazol-4-yl)methyl sulfide
The XLogP value of 4.58452 indicates that 5-(2-furyl)-4-phenyl-4H-1,2,4-triazol-3-yl (2-methyl-1,3-thiazol-4-yl)methyl sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.74 Ų, 5-(2-furyl)-4-phenyl-4H-1,2,4-triazol-3-yl (2-methyl-1,3-thiazol-4-yl)methyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(2-furyl)-4-phenyl-4H-1,2,4-triazol-3-yl (2-methyl-1,3-thiazol-4-yl)methyl sulfide has 0 hydrogen bond donor(s) and 6 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-(2-furyl)-4-phenyl-4H-1,2,4-triazol-3-yl (2-methyl-1,3-thiazol-4-yl)methyl sulfide?
The CAS number of 5-(2-furyl)-4-phenyl-4H-1,2,4-triazol-3-yl (2-methyl-1,3-thiazol-4-yl)methyl sulfide is 728001-01-2.
What is the molecular formula of 5-(2-furyl)-4-phenyl-4H-1,2,4-triazol-3-yl (2-methyl-1,3-thiazol-4-yl)methyl sulfide?
The molecular formula of 5-(2-furyl)-4-phenyl-4H-1,2,4-triazol-3-yl (2-methyl-1,3-thiazol-4-yl)methyl sulfide is C17H14N4OS2.
What is the molecular weight of 5-(2-furyl)-4-phenyl-4H-1,2,4-triazol-3-yl (2-methyl-1,3-thiazol-4-yl)methyl sulfide?
The molecular weight of 5-(2-furyl)-4-phenyl-4H-1,2,4-triazol-3-yl (2-methyl-1,3-thiazol-4-yl)methyl sulfide is 354.06 g/mol.
Where can I buy 5-(2-furyl)-4-phenyl-4H-1,2,4-triazol-3-yl (2-methyl-1,3-thiazol-4-yl)methyl sulfide?
You can request a quote for 5-(2-furyl)-4-phenyl-4H-1,2,4-triazol-3-yl (2-methyl-1,3-thiazol-4-yl)methyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2-furyl)-4-phenyl-4H-1,2,4-triazol-3-yl (2-methyl-1,3-thiazol-4-yl)methyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-furyl)-4-phenyl-4H-1,2,4-triazol-3-yl (2-methyl-1,3-thiazol-4-yl)methyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.