2-((5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-methoxyphenyl)ethanone
TL;DR: 2-((5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-methoxyphenyl)ethanone (CAS 899409-85-9) is a chemical compound with molecular formula C22H18ClN3O3S and molecular weight 439.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone
Also Known As: 2-((5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-methoxyphenyl)ethanone, 2-[[5-(3-chlorophenyl)-4-(2-furylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone, 2-[[5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone, 2-[5-(3-chlorophenyl)-4-(2-furylmethyl)(1,2,4-triazol-3-ylthio)]-1-(4-methoxyp henyl)ethan-1-one, 2-{[5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)ethan-1-one
| Molecular Formula | C22H18ClN3O3S |
|---|---|
| Molecular Weight | 439.08 g/mol |
| LogP | 5.2234 |
| Topological Polar Surface Area | 70.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 439.07574 |
| Heavy Atoms | 30 |
| Complexity | 1140.9164 |
Chemical Identifiers
| CAS Number | 899409-85-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=CC(=CC=C4)Cl |
Product Overview
2-((5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-methoxyphenyl)ethanone (CAS 899409-85-9), with molecular formula C22H18ClN3O3S and molecular weight 439.08 g/mol. IUPAC: 2-[[5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone.
Chemical Property Profile of 2-((5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-methoxyphenyl)ethanone
Property Insights of 2-((5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-methoxyphenyl)ethanone
The XLogP value of 5.2234 indicates that 2-((5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-methoxyphenyl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-methoxyphenyl)ethanone. Following Lipinski's Rule of Five, 2-((5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-methoxyphenyl)ethanone has 0 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-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-methoxyphenyl)ethanone?
The CAS number of 2-((5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-methoxyphenyl)ethanone is 899409-85-9.
What is the molecular formula of 2-((5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-methoxyphenyl)ethanone?
The molecular formula of 2-((5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-methoxyphenyl)ethanone is C22H18ClN3O3S.
What is the molecular weight of 2-((5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-methoxyphenyl)ethanone?
The molecular weight of 2-((5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-methoxyphenyl)ethanone is 439.08 g/mol.
Where can I buy 2-((5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-methoxyphenyl)ethanone?
You can request a quote for 2-((5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-methoxyphenyl)ethanone 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-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-methoxyphenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-((5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-methoxyphenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.