5-(3-CL-Phenyl)-4-((3-(2-furyl)-2-propenylidene)amino)-4H-1,2,4-triazole-3-thiol
TL;DR: 5-(3-CL-Phenyl)-4-((3-(2-furyl)-2-propenylidene)amino)-4H-1,2,4-triazole-3-thiol (CAS 478255-25-3) 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.
3-(3-chlorophenyl)-4-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione
Also Known As: 5-(3-CL-PHENYL)-4-((3-(2-FURYL)-2-PROPENYLIDENE)AMINO)-4H-1,2,4-TRIAZOLE-3-THIOL, 3-(3-Chlorophenyl)-4-((3-(furan-2-yl)allylidene)amino)-1H-1,2,4-triazole-5(4H)-thione, 3-(3-chlorophenyl)-4-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione, 4-((1E,3E)-4-(2-furyl)-1-azabuta-1,3-dienyl)-5-(3-chlorophenyl)-1,2,4-triazole -3-thiol, 5-(3-chlorophenyl)-4-((E)-((E)-3-(furan-2-yl)allylidene)amino)-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C15H11ClN4OS |
|---|---|
| Molecular Weight | 330.03 g/mol |
| LogP | 4.40139 |
| 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 | 877.0919 |
Chemical Identifiers
| CAS Number | 478255-25-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)C2=NNC(=S)N2/N=C/C=C/C3=CC=CO3 |
Product Overview
5-(3-CL-Phenyl)-4-((3-(2-furyl)-2-propenylidene)amino)-4H-1,2,4-triazole-3-thiol (CAS 478255-25-3), with molecular formula C15H11ClN4OS and molecular weight 330.03 g/mol. IUPAC: 3-(3-chlorophenyl)-4-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(3-CL-Phenyl)-4-((3-(2-furyl)-2-propenylidene)amino)-4H-1,2,4-triazole-3-thiol
Property Insights of 5-(3-CL-Phenyl)-4-((3-(2-furyl)-2-propenylidene)amino)-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.40139 indicates that 5-(3-CL-Phenyl)-4-((3-(2-furyl)-2-propenylidene)amino)-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, 5-(3-CL-Phenyl)-4-((3-(2-furyl)-2-propenylidene)amino)-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(3-CL-Phenyl)-4-((3-(2-furyl)-2-propenylidene)amino)-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 5-(3-CL-Phenyl)-4-((3-(2-furyl)-2-propenylidene)amino)-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-(3-CL-Phenyl)-4-((3-(2-furyl)-2-propenylidene)amino)-4H-1,2,4-triazole-3-thiol is 478255-25-3.
What is the molecular formula of 5-(3-CL-Phenyl)-4-((3-(2-furyl)-2-propenylidene)amino)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-(3-CL-Phenyl)-4-((3-(2-furyl)-2-propenylidene)amino)-4H-1,2,4-triazole-3-thiol is C15H11ClN4OS.
What is the molecular weight of 5-(3-CL-Phenyl)-4-((3-(2-furyl)-2-propenylidene)amino)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-(3-CL-Phenyl)-4-((3-(2-furyl)-2-propenylidene)amino)-4H-1,2,4-triazole-3-thiol is 330.03 g/mol.
Where can I buy 5-(3-CL-Phenyl)-4-((3-(2-furyl)-2-propenylidene)amino)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-(3-CL-Phenyl)-4-((3-(2-furyl)-2-propenylidene)amino)-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 5-(3-CL-Phenyl)-4-((3-(2-furyl)-2-propenylidene)amino)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-CL-Phenyl)-4-((3-(2-furyl)-2-propenylidene)amino)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.