C18H17Cl2N3OS
TL;DR: C18H17Cl2N3OS (CAS 848930-07-4) is a chemical compound with molecular formula C18H17Cl2N3OS and molecular weight 393.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-chlorophenoxy)methyl]-5-[(3-chlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazole
Also Known As: 3-[(3-chlorobenzyl)sulfanyl]-5-[(4-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazole, 3-((3-chlorobenzyl)thio)-5-((4-chlorophenoxy)methyl)-4-ethyl-4H-1,2,4-triazole, 3-(4-chlorophenoxymethyl)-5-{[(3-chlorophenyl)methyl]sulfanyl}-4-ethyl-4H-1,2,4-triazole, 3-[(4-chlorophenoxy)methyl]-5-[(3-chlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazole, 4-chloro-1-({5-[(3-chlorophenyl)methylthio]-4-ethyl(1,2,4-triazol-3-yl)}methox y)benzene
| Molecular Formula | C18H17Cl2N3OS |
|---|---|
| Molecular Weight | 393.05 g/mol |
| LogP | 5.4761 |
| Topological Polar Surface Area | 39.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 393.04694 |
| Heavy Atoms | 25 |
| Complexity | 836.5925 |
Chemical Identifiers
| CAS Number | 848930-07-4 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC2=CC(=CC=C2)Cl)COC3=CC=C(C=C3)Cl |
Product Overview
C18H17Cl2N3OS (CAS 848930-07-4), with molecular formula C18H17Cl2N3OS and molecular weight 393.05 g/mol. IUPAC: 3-[(4-chlorophenoxy)methyl]-5-[(3-chlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazole.
Chemical Property Profile of C18H17Cl2N3OS
Property Insights of C18H17Cl2N3OS
The XLogP value of 5.4761 indicates that C18H17Cl2N3OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.94 Ų, C18H17Cl2N3OS exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C18H17Cl2N3OS has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C18H17Cl2N3OS?
The CAS number of C18H17Cl2N3OS is 848930-07-4.
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 393.05 g/mol.
Where can I buy C18H17Cl2N3OS?
You can request a quote for C18H17Cl2N3OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C18H17Cl2N3OS?
Yes, KEHONG BIO provides custom synthesis services for C18H17Cl2N3OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.