4-((2-CL-3-Phenyl-2-propenylidene)amino)-5-(2-furyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-((2-CL-3-Phenyl-2-propenylidene)amino)-5-(2-furyl)-4H-1,2,4-triazole-3-thiol (CAS 478253-73-5) is a chemical compound with molecular formula C15H11ClN4OS and molecular weight 330.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-3-(furan-2-yl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-((2-Chloro-3-phenylallylidene)amino)-3-(furan-2-yl)-1H-1,2,4-triazole-5(4H)-thione, 4-((2-CL-3-PHENYL-2-PROPENYLIDENE)AMINO)-5-(2-FURYL)-4H-1,2,4-TRIAZOLE-3-THIOL, 4-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-3-(furan-2-yl)-1H-1,2,4-triazole-5-thione, 4-((E)-((Z)-2-chloro-3-phenylallylidene)amino)-5-(furan-2-yl)-4H-1,2,4-triazole-3-thiol, 4-[(Z)-2-Chloro-3-phenyl-prop-2-en-(E)-ylideneamino]-5-furan-2-yl-4H-[1,2,4]triazole-3-thiol
| Molecular Formula | C15H11ClN4OS |
|---|---|
| Molecular Weight | 330.03 g/mol |
| LogP | 4.31449 |
| Topological Polar Surface Area | 59.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 330.0342 |
| Heavy Atoms | 22 |
| Complexity | 862.59686 |
Chemical Identifiers
| CAS Number | 478253-73-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C(/C=N/N2C(=NNC2=S)C3=CC=CO3)\Cl |
Product Overview
4-((2-CL-3-Phenyl-2-propenylidene)amino)-5-(2-furyl)-4H-1,2,4-triazole-3-thiol (CAS 478253-73-5), with molecular formula C15H11ClN4OS and molecular weight 330.03 g/mol. IUPAC: 4-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-3-(furan-2-yl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-((2-CL-3-Phenyl-2-propenylidene)amino)-5-(2-furyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-((2-CL-3-Phenyl-2-propenylidene)amino)-5-(2-furyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.31449 indicates that 4-((2-CL-3-Phenyl-2-propenylidene)amino)-5-(2-furyl)-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.11 Ų, 4-((2-CL-3-Phenyl-2-propenylidene)amino)-5-(2-furyl)-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-((2-CL-3-Phenyl-2-propenylidene)amino)-5-(2-furyl)-4H-1,2,4-triazole-3-thiol 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 4-((2-CL-3-Phenyl-2-propenylidene)amino)-5-(2-furyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-((2-CL-3-Phenyl-2-propenylidene)amino)-5-(2-furyl)-4H-1,2,4-triazole-3-thiol is 478253-73-5.
What is the molecular formula of 4-((2-CL-3-Phenyl-2-propenylidene)amino)-5-(2-furyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-((2-CL-3-Phenyl-2-propenylidene)amino)-5-(2-furyl)-4H-1,2,4-triazole-3-thiol is C15H11ClN4OS.
What is the molecular weight of 4-((2-CL-3-Phenyl-2-propenylidene)amino)-5-(2-furyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-((2-CL-3-Phenyl-2-propenylidene)amino)-5-(2-furyl)-4H-1,2,4-triazole-3-thiol is 330.03 g/mol.
Where can I buy 4-((2-CL-3-Phenyl-2-propenylidene)amino)-5-(2-furyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-((2-CL-3-Phenyl-2-propenylidene)amino)-5-(2-furyl)-4H-1,2,4-triazole-3-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((2-CL-3-Phenyl-2-propenylidene)amino)-5-(2-furyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-((2-CL-3-Phenyl-2-propenylidene)amino)-5-(2-furyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.