5-Butyl-1-(2-ethoxyphenyl)-1,3,5-triazinane-2-thione
TL;DR: 5-Butyl-1-(2-ethoxyphenyl)-1,3,5-triazinane-2-thione (CAS 799802-86-1) is a chemical compound with molecular formula C15H23N3OS and molecular weight 293.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-butyl-1-(2-ethoxyphenyl)-1,3,5-triazinane-2-thione
Also Known As: 5-butyl-1-(2-ethoxyphenyl)-1,3,5-triazinane-2-thione, 5-Butyl-1-(2-ethoxy-phenyl)-[1,3,5]triazinane-2-thione
| Molecular Formula | C15H23N3OS |
|---|---|
| Molecular Weight | 293.16 g/mol |
| LogP | 2.7969 |
| Topological Polar Surface Area | 27.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 293.1562 |
| Heavy Atoms | 20 |
| Complexity | 452.4997 |
Chemical Identifiers
| CAS Number | 799802-86-1 |
|---|---|
| SMILES | CCCCN1CNC(=S)N(C1)C2=CC=CC=C2OCC |
Product Overview
5-Butyl-1-(2-ethoxyphenyl)-1,3,5-triazinane-2-thione (CAS 799802-86-1), with molecular formula C15H23N3OS and molecular weight 293.16 g/mol. IUPAC: 5-butyl-1-(2-ethoxyphenyl)-1,3,5-triazinane-2-thione.
Chemical Property Profile of 5-Butyl-1-(2-ethoxyphenyl)-1,3,5-triazinane-2-thione
Property Insights of 5-Butyl-1-(2-ethoxyphenyl)-1,3,5-triazinane-2-thione
The XLogP value of 2.7969 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Butyl-1-(2-ethoxyphenyl)-1,3,5-triazinane-2-thione. With a topological polar surface area (TPSA) of 27.74 Ų, 5-Butyl-1-(2-ethoxyphenyl)-1,3,5-triazinane-2-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Butyl-1-(2-ethoxyphenyl)-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-Butyl-1-(2-ethoxyphenyl)-1,3,5-triazinane-2-thione?
The CAS number of 5-Butyl-1-(2-ethoxyphenyl)-1,3,5-triazinane-2-thione is 799802-86-1.
What is the molecular formula of 5-Butyl-1-(2-ethoxyphenyl)-1,3,5-triazinane-2-thione?
The molecular formula of 5-Butyl-1-(2-ethoxyphenyl)-1,3,5-triazinane-2-thione is C15H23N3OS.
What is the molecular weight of 5-Butyl-1-(2-ethoxyphenyl)-1,3,5-triazinane-2-thione?
The molecular weight of 5-Butyl-1-(2-ethoxyphenyl)-1,3,5-triazinane-2-thione is 293.16 g/mol.
Where can I buy 5-Butyl-1-(2-ethoxyphenyl)-1,3,5-triazinane-2-thione?
You can request a quote for 5-Butyl-1-(2-ethoxyphenyl)-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-Butyl-1-(2-ethoxyphenyl)-1,3,5-triazinane-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 5-Butyl-1-(2-ethoxyphenyl)-1,3,5-triazinane-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.