![1-({5-[(4-bromophenyl)methylthio]-4-(2-furylmethyl)(1,2,4-triazol-3-yl)}methox y)-4-chlorobenzene structure](/static/products/896/896808-35-8.png)
1-({5-[(4-bromophenyl)methylthio]-4-(2-furylmethyl)(1,2,4-triazol-3-yl)}methox y)-4-chlorobenzene
TL;DR: 1-({5-[(4-bromophenyl)methylthio]-4-(2-furylmethyl)(1,2,4-triazol-3-yl)}methox y)-4-chlorobenzene (CAS 896808-35-8) is a chemical compound with molecular formula C21H17BrClN3O2S and molecular weight 488.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-bromophenyl)methylsulfanyl]-5-[(4-chlorophenoxy)methyl]-4-(furan-2-ylmethyl)-1,2,4-triazole
Also Known As: 1-({5-[(4-bromophenyl)methylthio]-4-(2-furylmethyl)(1,2,4-triazol-3-yl)}methox y)-4-chlorobenzene, 3-((4-bromobenzyl)thio)-5-((4-chlorophenoxy)methyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole, 3-[(4-bromobenzyl)sulfanyl]-5-[(4-chlorophenoxy)methyl]-4-(furan-2-ylmethyl)-4H-1,2,4-triazole, 3-[(4-bromophenyl)methylsulfanyl]-5-[(4-chlorophenoxy)methyl]-4-(2-furylmethyl)-1,2,4-triazole, 3-[(4-bromophenyl)methylsulfanyl]-5-[(4-chlorophenoxy)methyl]-4-(furan-2-ylmethyl)-1,2,4-triazole
| Molecular Formula | C21H17BrClN3O2S |
|---|---|
| Molecular Weight | 488.99 g/mol |
| LogP | 6.2066 |
| Topological Polar Surface Area | 53.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 488.99133 |
| Heavy Atoms | 29 |
| Complexity | 983.74194 |
Chemical Identifiers
| CAS Number | 896808-35-8 |
|---|---|
| SMILES | C1=COC(=C1)CN2C(=NN=C2SCC3=CC=C(C=C3)Br)COC4=CC=C(C=C4)Cl |
Product Overview
1-({5-[(4-bromophenyl)methylthio]-4-(2-furylmethyl)(1,2,4-triazol-3-yl)}methox y)-4-chlorobenzene (CAS 896808-35-8), with molecular formula C21H17BrClN3O2S and molecular weight 488.99 g/mol. IUPAC: 3-[(4-bromophenyl)methylsulfanyl]-5-[(4-chlorophenoxy)methyl]-4-(furan-2-ylmethyl)-1,2,4-triazole.
Chemical Property Profile of 1-({5-[(4-bromophenyl)methylthio]-4-(2-furylmethyl)(1,2,4-triazol-3-yl)}methox y)-4-chlorobenzene
Property Insights of 1-({5-[(4-bromophenyl)methylthio]-4-(2-furylmethyl)(1,2,4-triazol-3-yl)}methox y)-4-chlorobenzene
The XLogP value of 6.2066 indicates that 1-({5-[(4-bromophenyl)methylthio]-4-(2-furylmethyl)(1,2,4-triazol-3-yl)}methox y)-4-chlorobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.08 Ų, 1-({5-[(4-bromophenyl)methylthio]-4-(2-furylmethyl)(1,2,4-triazol-3-yl)}methox y)-4-chlorobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-({5-[(4-bromophenyl)methylthio]-4-(2-furylmethyl)(1,2,4-triazol-3-yl)}methox y)-4-chlorobenzene has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-({5-[(4-bromophenyl)methylthio]-4-(2-furylmethyl)(1,2,4-triazol-3-yl)}methox y)-4-chlorobenzene?
The CAS number of 1-({5-[(4-bromophenyl)methylthio]-4-(2-furylmethyl)(1,2,4-triazol-3-yl)}methox y)-4-chlorobenzene is 896808-35-8.
What is the molecular formula of 1-({5-[(4-bromophenyl)methylthio]-4-(2-furylmethyl)(1,2,4-triazol-3-yl)}methox y)-4-chlorobenzene?
The molecular formula of 1-({5-[(4-bromophenyl)methylthio]-4-(2-furylmethyl)(1,2,4-triazol-3-yl)}methox y)-4-chlorobenzene is C21H17BrClN3O2S.
What is the molecular weight of 1-({5-[(4-bromophenyl)methylthio]-4-(2-furylmethyl)(1,2,4-triazol-3-yl)}methox y)-4-chlorobenzene?
The molecular weight of 1-({5-[(4-bromophenyl)methylthio]-4-(2-furylmethyl)(1,2,4-triazol-3-yl)}methox y)-4-chlorobenzene is 488.99 g/mol.
Where can I buy 1-({5-[(4-bromophenyl)methylthio]-4-(2-furylmethyl)(1,2,4-triazol-3-yl)}methox y)-4-chlorobenzene?
You can request a quote for 1-({5-[(4-bromophenyl)methylthio]-4-(2-furylmethyl)(1,2,4-triazol-3-yl)}methox y)-4-chlorobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-({5-[(4-bromophenyl)methylthio]-4-(2-furylmethyl)(1,2,4-triazol-3-yl)}methox y)-4-chlorobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-({5-[(4-bromophenyl)methylthio]-4-(2-furylmethyl)(1,2,4-triazol-3-yl)}methox y)-4-chlorobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.