1-(2-Methoxyphenyl)-5-(2-phenylethyl)-1,3,5-triazinane-2-thione
TL;DR: 1-(2-Methoxyphenyl)-5-(2-phenylethyl)-1,3,5-triazinane-2-thione (CAS 679798-82-4) is a chemical compound with molecular formula C18H21N3OS and molecular weight 327.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-methoxyphenyl)-5-(2-phenylethyl)-1,3,5-triazinane-2-thione
Also Known As: 1-(2-methoxyphenyl)-5-(2-phenylethyl)-1,3,5-triazinane-2-thione, AQ-090/41740719, 1-(2-methoxyphenyl)-5-phenethyl-1,3,5-triazinane-2-thione, 1-(2-Methoxy-phenyl)-5-phenethyl-[1,3,5]triazinane-2-thione
| Molecular Formula | C18H21N3OS |
|---|---|
| Molecular Weight | 327.14 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 59.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 327.14053 |
| Heavy Atoms | 23 |
| Complexity | 386.0 |
Chemical Identifiers
| CAS Number | 679798-82-4 |
|---|---|
| SMILES | COC1=CC=CC=C1N2CN(CNC2=S)CCC3=CC=CC=C3 |
| InChIKey | GIWJBXDWEIKPAK-UHFFFAOYSA-N |
Product Overview
1-(2-Methoxyphenyl)-5-(2-phenylethyl)-1,3,5-triazinane-2-thione (CAS 679798-82-4), with molecular formula C18H21N3OS and molecular weight 327.14 g/mol. IUPAC: 1-(2-methoxyphenyl)-5-(2-phenylethyl)-1,3,5-triazinane-2-thione.
Chemical Property Profile of 1-(2-Methoxyphenyl)-5-(2-phenylethyl)-1,3,5-triazinane-2-thione
Property Insights of 1-(2-Methoxyphenyl)-5-(2-phenylethyl)-1,3,5-triazinane-2-thione
The XLogP value of 3.6 indicates that 1-(2-Methoxyphenyl)-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 59.8 Ų, 1-(2-Methoxyphenyl)-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-(2-Methoxyphenyl)-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-(2-Methoxyphenyl)-5-(2-phenylethyl)-1,3,5-triazinane-2-thione?
The CAS number of 1-(2-Methoxyphenyl)-5-(2-phenylethyl)-1,3,5-triazinane-2-thione is 679798-82-4.
What is the molecular formula of 1-(2-Methoxyphenyl)-5-(2-phenylethyl)-1,3,5-triazinane-2-thione?
The molecular formula of 1-(2-Methoxyphenyl)-5-(2-phenylethyl)-1,3,5-triazinane-2-thione is C18H21N3OS.
What is the molecular weight of 1-(2-Methoxyphenyl)-5-(2-phenylethyl)-1,3,5-triazinane-2-thione?
The molecular weight of 1-(2-Methoxyphenyl)-5-(2-phenylethyl)-1,3,5-triazinane-2-thione is 327.14 g/mol.
Where can I buy 1-(2-Methoxyphenyl)-5-(2-phenylethyl)-1,3,5-triazinane-2-thione?
You can request a quote for 1-(2-Methoxyphenyl)-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-(2-Methoxyphenyl)-5-(2-phenylethyl)-1,3,5-triazinane-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Methoxyphenyl)-5-(2-phenylethyl)-1,3,5-triazinane-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.