1-(3-Chloro-4-fluorophenyl)-5-(2-phenylethyl)-1,3,5-triazinane-2-thione
TL;DR: 1-(3-Chloro-4-fluorophenyl)-5-(2-phenylethyl)-1,3,5-triazinane-2-thione (CAS 677302-98-6) is a chemical compound with molecular formula C17H17ClFN3S and molecular weight 349.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chloro-4-fluorophenyl)-5-(2-phenylethyl)-1,3,5-triazinane-2-thione
Also Known As: 1-(3-chloro-4-fluorophenyl)-5-(2-phenylethyl)-1,3,5-triazinane-2-thione, 1-(3-chloro-4-fluorophenyl)-5-phenethyl-1,3,5-triazinane-2-thione, 1-(3-chloro-4-fluoro-phenyl)-5-phenethyl-1,3,5-triazinane-2-thione
| Molecular Formula | C17H17ClFN3S |
|---|---|
| Molecular Weight | 349.08 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 349.08157 |
| Heavy Atoms | 23 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 677302-98-6 |
|---|---|
| SMILES | C1NC(=S)N(CN1CCC2=CC=CC=C2)C3=CC(=C(C=C3)F)Cl |
| InChIKey | SGJHCAJIAMXATC-UHFFFAOYSA-N |
Product Overview
1-(3-Chloro-4-fluorophenyl)-5-(2-phenylethyl)-1,3,5-triazinane-2-thione (CAS 677302-98-6), with molecular formula C17H17ClFN3S and molecular weight 349.08 g/mol. IUPAC: 1-(3-chloro-4-fluorophenyl)-5-(2-phenylethyl)-1,3,5-triazinane-2-thione.
Chemical Property Profile of 1-(3-Chloro-4-fluorophenyl)-5-(2-phenylethyl)-1,3,5-triazinane-2-thione
Property Insights of 1-(3-Chloro-4-fluorophenyl)-5-(2-phenylethyl)-1,3,5-triazinane-2-thione
The XLogP value of 4.4 indicates that 1-(3-Chloro-4-fluorophenyl)-5-(2-phenylethyl)-1,3,5-triazinane-2-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.6 Ų, 1-(3-Chloro-4-fluorophenyl)-5-(2-phenylethyl)-1,3,5-triazinane-2-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Chloro-4-fluorophenyl)-5-(2-phenylethyl)-1,3,5-triazinane-2-thione has 1 hydrogen bond donor(s) and 3 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 1-(3-Chloro-4-fluorophenyl)-5-(2-phenylethyl)-1,3,5-triazinane-2-thione?
The CAS number of 1-(3-Chloro-4-fluorophenyl)-5-(2-phenylethyl)-1,3,5-triazinane-2-thione is 677302-98-6.
What is the molecular formula of 1-(3-Chloro-4-fluorophenyl)-5-(2-phenylethyl)-1,3,5-triazinane-2-thione?
The molecular formula of 1-(3-Chloro-4-fluorophenyl)-5-(2-phenylethyl)-1,3,5-triazinane-2-thione is C17H17ClFN3S.
What is the molecular weight of 1-(3-Chloro-4-fluorophenyl)-5-(2-phenylethyl)-1,3,5-triazinane-2-thione?
The molecular weight of 1-(3-Chloro-4-fluorophenyl)-5-(2-phenylethyl)-1,3,5-triazinane-2-thione is 349.08 g/mol.
Where can I buy 1-(3-Chloro-4-fluorophenyl)-5-(2-phenylethyl)-1,3,5-triazinane-2-thione?
You can request a quote for 1-(3-Chloro-4-fluorophenyl)-5-(2-phenylethyl)-1,3,5-triazinane-2-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Chloro-4-fluorophenyl)-5-(2-phenylethyl)-1,3,5-triazinane-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Chloro-4-fluorophenyl)-5-(2-phenylethyl)-1,3,5-triazinane-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.