5-(Furan-2-ylmethyl)-1-phenethyl-1,3,5-triazinane-2-thione
TL;DR: 5-(Furan-2-ylmethyl)-1-phenethyl-1,3,5-triazinane-2-thione (CAS 676243-80-4) is a chemical compound with molecular formula C16H19N3OS and molecular weight 301.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(furan-2-ylmethyl)-1-(2-phenylethyl)-1,3,5-triazinane-2-thione
Also Known As: 5-(furan-2-ylmethyl)-1-phenethyl-1,3,5-triazinane-2-thione, 5-[(furan-2-yl)methyl]-1-(2-phenylethyl)-1,3,5-triazinane-2-thione, 5-furfuryl-1-phenethyl-1,3,5-triazinane-2-thione, 5-(furan-2-ylmethyl)-1-(2-phenylethyl)-1,3,5-triazinane-2-thione, 5-(2-furylmethyl)-1-phenethyl-1,3,5-triazinane-2-thione
| Molecular Formula | C16H19N3OS |
|---|---|
| Molecular Weight | 301.12 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 63.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 301.12488 |
| Heavy Atoms | 21 |
| Complexity | 346.0 |
Chemical Identifiers
| CAS Number | 676243-80-4 |
|---|---|
| SMILES | C1NC(=S)N(CN1CC2=CC=CO2)CCC3=CC=CC=C3 |
| InChIKey | XOVLHPBLSHTJHP-UHFFFAOYSA-N |
Product Overview
5-(Furan-2-ylmethyl)-1-phenethyl-1,3,5-triazinane-2-thione (CAS 676243-80-4), with molecular formula C16H19N3OS and molecular weight 301.12 g/mol. IUPAC: 5-(furan-2-ylmethyl)-1-(2-phenylethyl)-1,3,5-triazinane-2-thione.
Chemical Property Profile of 5-(Furan-2-ylmethyl)-1-phenethyl-1,3,5-triazinane-2-thione
Property Insights of 5-(Furan-2-ylmethyl)-1-phenethyl-1,3,5-triazinane-2-thione
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Furan-2-ylmethyl)-1-phenethyl-1,3,5-triazinane-2-thione. The TPSA of 63.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Furan-2-ylmethyl)-1-phenethyl-1,3,5-triazinane-2-thione. Following Lipinski's Rule of Five, 5-(Furan-2-ylmethyl)-1-phenethyl-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-(Furan-2-ylmethyl)-1-phenethyl-1,3,5-triazinane-2-thione?
The CAS number of 5-(Furan-2-ylmethyl)-1-phenethyl-1,3,5-triazinane-2-thione is 676243-80-4.
What is the molecular formula of 5-(Furan-2-ylmethyl)-1-phenethyl-1,3,5-triazinane-2-thione?
The molecular formula of 5-(Furan-2-ylmethyl)-1-phenethyl-1,3,5-triazinane-2-thione is C16H19N3OS.
What is the molecular weight of 5-(Furan-2-ylmethyl)-1-phenethyl-1,3,5-triazinane-2-thione?
The molecular weight of 5-(Furan-2-ylmethyl)-1-phenethyl-1,3,5-triazinane-2-thione is 301.12 g/mol.
Where can I buy 5-(Furan-2-ylmethyl)-1-phenethyl-1,3,5-triazinane-2-thione?
You can request a quote for 5-(Furan-2-ylmethyl)-1-phenethyl-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-(Furan-2-ylmethyl)-1-phenethyl-1,3,5-triazinane-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 5-(Furan-2-ylmethyl)-1-phenethyl-1,3,5-triazinane-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.