2,4-dichlorobenzyl 4-(2-furylmethyl)-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-yl sulfide
TL;DR: 2,4-dichlorobenzyl 4-(2-furylmethyl)-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-yl sulfide (CAS 676459-22-6) is a chemical compound with molecular formula C18H13Cl2N5OS and molecular weight 417.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-[(2,4-dichlorophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]pyrazine
Also Known As: 2,4-dichlorobenzyl 4-(2-furylmethyl)-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-yl sulfide, AF-399/42679520, 2-[5-[(2,4-dichlorophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]pyrazine, 2-(5-((2,4-dichlorobenzyl)thio)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)pyrazine, 2-(5-{[(2,4-dichlorophenyl)methyl]sulfanyl}-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)pyrazine
| Molecular Formula | C18H13Cl2N5OS |
|---|---|
| Molecular Weight | 417.02 g/mol |
| LogP | 4.9755 |
| Topological Polar Surface Area | 69.63 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 417.0218 |
| Heavy Atoms | 27 |
| Complexity | 1037.3588 |
Chemical Identifiers
| CAS Number | 676459-22-6 |
|---|---|
| SMILES | C1=COC(=C1)CN2C(=NN=C2SCC3=C(C=C(C=C3)Cl)Cl)C4=NC=CN=C4 |
Product Overview
2,4-dichlorobenzyl 4-(2-furylmethyl)-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-yl sulfide (CAS 676459-22-6), with molecular formula C18H13Cl2N5OS and molecular weight 417.02 g/mol. IUPAC: 2-[5-[(2,4-dichlorophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]pyrazine.
Chemical Property Profile of 2,4-dichlorobenzyl 4-(2-furylmethyl)-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-yl sulfide
Property Insights of 2,4-dichlorobenzyl 4-(2-furylmethyl)-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-yl sulfide
The XLogP value of 4.9755 indicates that 2,4-dichlorobenzyl 4-(2-furylmethyl)-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-yl sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-dichlorobenzyl 4-(2-furylmethyl)-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-yl sulfide. Following Lipinski's Rule of Five, 2,4-dichlorobenzyl 4-(2-furylmethyl)-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-yl sulfide has 0 hydrogen bond donor(s) and 6 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 2,4-dichlorobenzyl 4-(2-furylmethyl)-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-yl sulfide?
The CAS number of 2,4-dichlorobenzyl 4-(2-furylmethyl)-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-yl sulfide is 676459-22-6.
What is the molecular formula of 2,4-dichlorobenzyl 4-(2-furylmethyl)-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-yl sulfide?
The molecular formula of 2,4-dichlorobenzyl 4-(2-furylmethyl)-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-yl sulfide is C18H13Cl2N5OS.
What is the molecular weight of 2,4-dichlorobenzyl 4-(2-furylmethyl)-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-yl sulfide?
The molecular weight of 2,4-dichlorobenzyl 4-(2-furylmethyl)-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-yl sulfide is 417.02 g/mol.
Where can I buy 2,4-dichlorobenzyl 4-(2-furylmethyl)-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-yl sulfide?
You can request a quote for 2,4-dichlorobenzyl 4-(2-furylmethyl)-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-yl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-dichlorobenzyl 4-(2-furylmethyl)-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-yl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 2,4-dichlorobenzyl 4-(2-furylmethyl)-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-yl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.