5-Benzyl-1-(2-methoxyphenyl)-1,3,5-triazinane-2-thione
TL;DR: 5-Benzyl-1-(2-methoxyphenyl)-1,3,5-triazinane-2-thione (CAS 679801-24-2) is a chemical compound with molecular formula C17H19N3OS and molecular weight 313.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzyl-1-(2-methoxyphenyl)-1,3,5-triazinane-2-thione
Also Known As: 5-benzyl-1-(2-methoxyphenyl)-1,3,5-triazinane-2-thione, 5-Benzyl-1-(2-methoxy-phenyl)-[1,3,5]triazinane-2-thione, 1-(2-methoxyphenyl)-5-(phenylmethyl)-1,3,5-triazinane-2-thione
| Molecular Formula | C17H19N3OS |
|---|---|
| Molecular Weight | 313.12 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 59.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.12488 |
| Heavy Atoms | 22 |
| Complexity | 373.0 |
Chemical Identifiers
| CAS Number | 679801-24-2 |
|---|---|
| SMILES | COC1=CC=CC=C1N2CN(CNC2=S)CC3=CC=CC=C3 |
| InChIKey | XRORQPYKVYMLRB-UHFFFAOYSA-N |
Product Overview
5-Benzyl-1-(2-methoxyphenyl)-1,3,5-triazinane-2-thione (CAS 679801-24-2), with molecular formula C17H19N3OS and molecular weight 313.12 g/mol. IUPAC: 5-benzyl-1-(2-methoxyphenyl)-1,3,5-triazinane-2-thione.
Chemical Property Profile of 5-Benzyl-1-(2-methoxyphenyl)-1,3,5-triazinane-2-thione
Property Insights of 5-Benzyl-1-(2-methoxyphenyl)-1,3,5-triazinane-2-thione
The XLogP value of 3.2 indicates that 5-Benzyl-1-(2-methoxyphenyl)-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, 5-Benzyl-1-(2-methoxyphenyl)-1,3,5-triazinane-2-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Benzyl-1-(2-methoxyphenyl)-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 5-Benzyl-1-(2-methoxyphenyl)-1,3,5-triazinane-2-thione?
The CAS number of 5-Benzyl-1-(2-methoxyphenyl)-1,3,5-triazinane-2-thione is 679801-24-2.
What is the molecular formula of 5-Benzyl-1-(2-methoxyphenyl)-1,3,5-triazinane-2-thione?
The molecular formula of 5-Benzyl-1-(2-methoxyphenyl)-1,3,5-triazinane-2-thione is C17H19N3OS.
What is the molecular weight of 5-Benzyl-1-(2-methoxyphenyl)-1,3,5-triazinane-2-thione?
The molecular weight of 5-Benzyl-1-(2-methoxyphenyl)-1,3,5-triazinane-2-thione is 313.12 g/mol.
Where can I buy 5-Benzyl-1-(2-methoxyphenyl)-1,3,5-triazinane-2-thione?
You can request a quote for 5-Benzyl-1-(2-methoxyphenyl)-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 5-Benzyl-1-(2-methoxyphenyl)-1,3,5-triazinane-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 5-Benzyl-1-(2-methoxyphenyl)-1,3,5-triazinane-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.