2-((5-((4-chlorophenoxy)methyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-1-(naphthalen-2-yl)ethanone
TL;DR: 2-((5-((4-chlorophenoxy)methyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-1-(naphthalen-2-yl)ethanone (CAS 899409-45-1) is a chemical compound with molecular formula C26H20ClN3O3S and molecular weight 489.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(4-chlorophenoxy)methyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-naphthalen-2-ylethanone
Also Known As: 2-((5-((4-chlorophenoxy)methyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-1-(naphthalen-2-yl)ethanone, 2-({5-[(4-chlorophenoxy)methyl]-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(naphthalen-2-yl)ethanone, 2-[[5-[(4-chlorophenoxy)methyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-naphthalen-2-ylethanone
| Molecular Formula | C26H20ClN3O3S |
|---|---|
| Molecular Weight | 489.09 g/mol |
| LogP | 6.28 |
| Topological Polar Surface Area | 70.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 489.0914 |
| Heavy Atoms | 34 |
| Complexity | 1415.3086 |
Chemical Identifiers
| CAS Number | 899409-45-1 |
|---|---|
| SMILES | C1=CC=C2C=C(C=CC2=C1)C(=O)CSC3=NN=C(N3CC4=CC=CO4)COC5=CC=C(C=C5)Cl |
Product Overview
2-((5-((4-chlorophenoxy)methyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-1-(naphthalen-2-yl)ethanone (CAS 899409-45-1), with molecular formula C26H20ClN3O3S and molecular weight 489.09 g/mol. IUPAC: 2-[[5-[(4-chlorophenoxy)methyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-naphthalen-2-ylethanone.
Chemical Property Profile of 2-((5-((4-chlorophenoxy)methyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-1-(naphthalen-2-yl)ethanone
Property Insights of 2-((5-((4-chlorophenoxy)methyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-1-(naphthalen-2-yl)ethanone
The XLogP value of 6.28 indicates that 2-((5-((4-chlorophenoxy)methyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-1-(naphthalen-2-yl)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-((4-chlorophenoxy)methyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-1-(naphthalen-2-yl)ethanone. Following Lipinski's Rule of Five, 2-((5-((4-chlorophenoxy)methyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-1-(naphthalen-2-yl)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-((4-chlorophenoxy)methyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-1-(naphthalen-2-yl)ethanone?
The CAS number of 2-((5-((4-chlorophenoxy)methyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-1-(naphthalen-2-yl)ethanone is 899409-45-1.
What is the molecular formula of 2-((5-((4-chlorophenoxy)methyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-1-(naphthalen-2-yl)ethanone?
The molecular formula of 2-((5-((4-chlorophenoxy)methyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-1-(naphthalen-2-yl)ethanone is C26H20ClN3O3S.
What is the molecular weight of 2-((5-((4-chlorophenoxy)methyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-1-(naphthalen-2-yl)ethanone?
The molecular weight of 2-((5-((4-chlorophenoxy)methyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-1-(naphthalen-2-yl)ethanone is 489.09 g/mol.
Where can I buy 2-((5-((4-chlorophenoxy)methyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-1-(naphthalen-2-yl)ethanone?
You can request a quote for 2-((5-((4-chlorophenoxy)methyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-1-(naphthalen-2-yl)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-((4-chlorophenoxy)methyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-1-(naphthalen-2-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-((5-((4-chlorophenoxy)methyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-1-(naphthalen-2-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.