Cinnamyl 5-(2-furyl)-4-methyl-4H-1,2,4-triazol-3-YL sulfide
TL;DR: Cinnamyl 5-(2-furyl)-4-methyl-4H-1,2,4-triazol-3-YL sulfide (CAS 1164546-52-4) is a chemical compound with molecular formula C16H15N3OS and molecular weight 297.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(furan-2-yl)-4-methyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazole
Also Known As: SALOR-INT L406732-1EA, 3-(Cinnamylthio)-5-(furan-2-yl)-4-methyl-4H-1,2,4-triazole, 3-(2-furyl)-4-methyl-5-[(3-phenyl-2-propen-1-yl)thio]-4H-1,2,4-triazole, CINNAMYL 5-(2-FURYL)-4-METHYL-4H-1,2,4-TRIAZOL-3-YL SULFIDE, 3-(furan-2-yl)-4-methyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazole
| Molecular Formula | C16H15N3OS |
|---|---|
| Molecular Weight | 297.09 g/mol |
| LogP | 3.8806 |
| Topological Polar Surface Area | 43.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 297.0936 |
| Heavy Atoms | 21 |
| Complexity | 717.3323 |
Chemical Identifiers
| CAS Number | 1164546-52-4 |
|---|---|
| SMILES | CN1C(=NN=C1SC/C=C/C2=CC=CC=C2)C3=CC=CO3 |
Product Overview
Cinnamyl 5-(2-furyl)-4-methyl-4H-1,2,4-triazol-3-YL sulfide (CAS 1164546-52-4), with molecular formula C16H15N3OS and molecular weight 297.09 g/mol. IUPAC: 3-(furan-2-yl)-4-methyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazole.
Chemical Property Profile of Cinnamyl 5-(2-furyl)-4-methyl-4H-1,2,4-triazol-3-YL sulfide
Property Insights of Cinnamyl 5-(2-furyl)-4-methyl-4H-1,2,4-triazol-3-YL sulfide
The XLogP value of 3.8806 indicates that Cinnamyl 5-(2-furyl)-4-methyl-4H-1,2,4-triazol-3-YL sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.85 Ų, Cinnamyl 5-(2-furyl)-4-methyl-4H-1,2,4-triazol-3-YL sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cinnamyl 5-(2-furyl)-4-methyl-4H-1,2,4-triazol-3-YL sulfide has 0 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 Cinnamyl 5-(2-furyl)-4-methyl-4H-1,2,4-triazol-3-YL sulfide?
The CAS number of Cinnamyl 5-(2-furyl)-4-methyl-4H-1,2,4-triazol-3-YL sulfide is 1164546-52-4.
What is the molecular formula of Cinnamyl 5-(2-furyl)-4-methyl-4H-1,2,4-triazol-3-YL sulfide?
The molecular formula of Cinnamyl 5-(2-furyl)-4-methyl-4H-1,2,4-triazol-3-YL sulfide is C16H15N3OS.
What is the molecular weight of Cinnamyl 5-(2-furyl)-4-methyl-4H-1,2,4-triazol-3-YL sulfide?
The molecular weight of Cinnamyl 5-(2-furyl)-4-methyl-4H-1,2,4-triazol-3-YL sulfide is 297.09 g/mol.
Where can I buy Cinnamyl 5-(2-furyl)-4-methyl-4H-1,2,4-triazol-3-YL sulfide?
You can request a quote for Cinnamyl 5-(2-furyl)-4-methyl-4H-1,2,4-triazol-3-YL sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cinnamyl 5-(2-furyl)-4-methyl-4H-1,2,4-triazol-3-YL sulfide?
Yes, KEHONG BIO provides custom synthesis services for Cinnamyl 5-(2-furyl)-4-methyl-4H-1,2,4-triazol-3-YL sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.