![3-[(2,6-difluorobenzyl)sulfanyl]-5-(furan-2-yl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole structure](/static/products/6763/676332-66-4.webp)
3-[(2,6-difluorobenzyl)sulfanyl]-5-(furan-2-yl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole
TL;DR: 3-[(2,6-difluorobenzyl)sulfanyl]-5-(furan-2-yl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole (CAS 676332-66-4) is a chemical compound with molecular formula C18H13F2N3O2S and molecular weight 373.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2,6-difluorophenyl)methylsulfanyl]-5-(furan-2-yl)-4-(furan-2-ylmethyl)-1,2,4-triazole
Also Known As: 3-[(2,6-difluorobenzyl)sulfanyl]-5-(furan-2-yl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole, 3-((2,6-difluorobenzyl)thio)-5-(furan-2-yl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole, 3-[(2,6-difluorophenyl)methylthio]-5-(2-furyl)-4-(2-furylmethyl)-1,2,4-triazol e, 3-[(2,6-difluorophenyl)methylsulfanyl]-5-(furan-2-yl)-4-(furan-2-ylmethyl)-1,2,4-triazole, 3-{[(2,6-difluorophenyl)methyl]sulfanyl}-5-(furan-2-yl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole
| Molecular Formula | C18H13F2N3O2S |
|---|---|
| Molecular Weight | 373.07 g/mol |
| LogP | 4.7499 |
| Topological Polar Surface Area | 56.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 373.06964 |
| Heavy Atoms | 26 |
| Complexity | 977.56213 |
Chemical Identifiers
| CAS Number | 676332-66-4 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)F)CSC2=NN=C(N2CC3=CC=CO3)C4=CC=CO4)F |
Product Overview
3-[(2,6-difluorobenzyl)sulfanyl]-5-(furan-2-yl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole (CAS 676332-66-4), with molecular formula C18H13F2N3O2S and molecular weight 373.07 g/mol. IUPAC: 3-[(2,6-difluorophenyl)methylsulfanyl]-5-(furan-2-yl)-4-(furan-2-ylmethyl)-1,2,4-triazole.
Chemical Property Profile of 3-[(2,6-difluorobenzyl)sulfanyl]-5-(furan-2-yl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole
Property Insights of 3-[(2,6-difluorobenzyl)sulfanyl]-5-(furan-2-yl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole
The XLogP value of 4.7499 indicates that 3-[(2,6-difluorobenzyl)sulfanyl]-5-(furan-2-yl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.99 Ų, 3-[(2,6-difluorobenzyl)sulfanyl]-5-(furan-2-yl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(2,6-difluorobenzyl)sulfanyl]-5-(furan-2-yl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole has 0 hydrogen bond donor(s) and 5 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 3-[(2,6-difluorobenzyl)sulfanyl]-5-(furan-2-yl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole?
The CAS number of 3-[(2,6-difluorobenzyl)sulfanyl]-5-(furan-2-yl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole is 676332-66-4.
What is the molecular formula of 3-[(2,6-difluorobenzyl)sulfanyl]-5-(furan-2-yl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole?
The molecular formula of 3-[(2,6-difluorobenzyl)sulfanyl]-5-(furan-2-yl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole is C18H13F2N3O2S.
What is the molecular weight of 3-[(2,6-difluorobenzyl)sulfanyl]-5-(furan-2-yl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole?
The molecular weight of 3-[(2,6-difluorobenzyl)sulfanyl]-5-(furan-2-yl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole is 373.07 g/mol.
Where can I buy 3-[(2,6-difluorobenzyl)sulfanyl]-5-(furan-2-yl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole?
You can request a quote for 3-[(2,6-difluorobenzyl)sulfanyl]-5-(furan-2-yl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(2,6-difluorobenzyl)sulfanyl]-5-(furan-2-yl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-[(2,6-difluorobenzyl)sulfanyl]-5-(furan-2-yl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.