![2-((5-(3-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(2-methoxydibenzo[b,d]furan-3-yl)acetamide structure](/static/products/896/896816-84-5.png)
2-((5-(3-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(2-methoxydibenzo[b,d]furan-3-yl)acetamide
TL;DR: 2-((5-(3-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(2-methoxydibenzo[b,d]furan-3-yl)acetamide (CAS 896816-84-5) is a chemical compound with molecular formula C29H21ClN4O3S and molecular weight 540.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(3-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxydibenzofuran-3-yl)acetamide
Also Known As: 2-((5-(3-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(2-methoxydibenzo[b,d]furan-3-yl)acetamide, 2-[[5-(3-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxydibenzofuran-3-yl)acetamide, 2-[5-(3-chlorophenyl)-4-phenyl(1,2,4-triazol-3-ylthio)]-N-(2-methoxybenzo[3,4- b]benzo[d]furan-3-yl)acetamide, 2-{[5-(3-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxydibenzo[b,d]furan-3-yl)acetamide, 2-{[5-(3-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-{4-methoxy-8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl}acetamide
| Molecular Formula | C29H21ClN4O3S |
|---|---|
| Molecular Weight | 540.10 g/mol |
| LogP | 7.2265 |
| Topological Polar Surface Area | 82.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 540.1023 |
| Heavy Atoms | 38 |
| Complexity | 1781.6833 |
Chemical Identifiers
| CAS Number | 896816-84-5 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)NC(=O)CSC4=NN=C(N4C5=CC=CC=C5)C6=CC(=CC=C6)Cl |
Product Overview
2-((5-(3-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(2-methoxydibenzo[b,d]furan-3-yl)acetamide (CAS 896816-84-5), with molecular formula C29H21ClN4O3S and molecular weight 540.10 g/mol. IUPAC: 2-[[5-(3-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxydibenzofuran-3-yl)acetamide.
Chemical Property Profile of 2-((5-(3-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(2-methoxydibenzo[b,d]furan-3-yl)acetamide
Property Insights of 2-((5-(3-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(2-methoxydibenzo[b,d]furan-3-yl)acetamide
The XLogP value of 7.2265 indicates that 2-((5-(3-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(2-methoxydibenzo[b,d]furan-3-yl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((5-(3-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(2-methoxydibenzo[b,d]furan-3-yl)acetamide. Following Lipinski's Rule of Five, 2-((5-(3-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(2-methoxydibenzo[b,d]furan-3-yl)acetamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((5-(3-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(2-methoxydibenzo[b,d]furan-3-yl)acetamide?
The CAS number of 2-((5-(3-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(2-methoxydibenzo[b,d]furan-3-yl)acetamide is 896816-84-5.
What is the molecular formula of 2-((5-(3-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(2-methoxydibenzo[b,d]furan-3-yl)acetamide?
The molecular formula of 2-((5-(3-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(2-methoxydibenzo[b,d]furan-3-yl)acetamide is C29H21ClN4O3S.
What is the molecular weight of 2-((5-(3-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(2-methoxydibenzo[b,d]furan-3-yl)acetamide?
The molecular weight of 2-((5-(3-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(2-methoxydibenzo[b,d]furan-3-yl)acetamide is 540.10 g/mol.
Where can I buy 2-((5-(3-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(2-methoxydibenzo[b,d]furan-3-yl)acetamide?
You can request a quote for 2-((5-(3-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(2-methoxydibenzo[b,d]furan-3-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((5-(3-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(2-methoxydibenzo[b,d]furan-3-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((5-(3-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(2-methoxydibenzo[b,d]furan-3-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.