C18H17Cl2N3OS
TL;DR: C18H17Cl2N3OS (CAS 848921-14-2) is a chemical compound with molecular formula C18H17Cl2N3OS and molecular weight 393.04694 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(4-chlorophenoxy)methyl]-5-[(2-chlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazole
Also Known As: 3-[(2-chlorobenzyl)sulfanyl]-5-[(4-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazole, 3-((2-chlorobenzyl)thio)-5-((4-chlorophenoxy)methyl)-4-ethyl-4H-1,2,4-triazole, 3-(4-chlorophenoxymethyl)-5-{[(2-chlorophenyl)methyl]sulfanyl}-4-ethyl-4H-1,2,4-triazole, 3-[(4-chlorophenoxy)methyl]-5-[(2-chlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazole, 4-chloro-1-({5-[(2-chlorophenyl)methylthio]-4-ethyl(1,2,4-triazol-3-yl)}methox y)benzene
Technical Specifications
| Molecular Formula | C18H17Cl2N3OS |
| Molecular Weight | 393.04694 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 65.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 393.04694 Da |
| Heavy Atoms | 25 |
| Complexity | 399.0 |
| SMILES | CCN1C(=NN=C1SCC2=CC=CC=C2Cl)COC3=CC=C(C=C3)Cl |
| InChIKey | WOCMYJHUXANZDR-UHFFFAOYSA-N |
Chemical Property Profile of C18H17Cl2N3OS
Property Insights of C18H17Cl2N3OS
The XLogP value of 4.8 indicates that C18H17Cl2N3OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.2 Ų falls within the moderate polarity range, balancing permeability and solubility for C18H17Cl2N3OS. Following Lipinski's Rule of Five, C18H17Cl2N3OS has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of C18H17Cl2N3OS?
The CAS number of C18H17Cl2N3OS is 848921-14-2.
What is the molecular formula of C18H17Cl2N3OS?
The molecular formula of C18H17Cl2N3OS is C18H17Cl2N3OS.
What is the molecular weight of C18H17Cl2N3OS?
The molecular weight of C18H17Cl2N3OS is 393.04694 g/mol.
Where can I buy C18H17Cl2N3OS?
You can request a quote for C18H17Cl2N3OS directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C18H17Cl2N3OS?
Yes, CoreyChem provides custom synthesis services for C18H17Cl2N3OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.