1-(2-Ethoxyphenyl)-5-(furan-2-ylmethyl)-1,3,5-triazinane-2-thione
TL;DR: 1-(2-Ethoxyphenyl)-5-(furan-2-ylmethyl)-1,3,5-triazinane-2-thione (CAS 677017-63-9) is a chemical compound with molecular formula C16H19N3O2S and molecular weight 317.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-ethoxyphenyl)-5-(furan-2-ylmethyl)-1,3,5-triazinane-2-thione
Also Known As: 1-(2-ethoxyphenyl)-5-(furan-2-ylmethyl)-1,3,5-triazinane-2-thione, 1-(2-ethoxyphenyl)-5-(2-furylmethyl)-1,3,5-triazinane-2-thione, 1-(2-ETHOXYPHENYL)-5-[(FURAN-2-YL)METHYL]-1,3,5-TRIAZINANE-2-THIONE
| Molecular Formula | C16H19N3O2S |
|---|---|
| Molecular Weight | 317.12 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 73.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 317.1198 |
| Heavy Atoms | 22 |
| Complexity | 382.0 |
Chemical Identifiers
| CAS Number | 677017-63-9 |
|---|---|
| SMILES | CCOC1=CC=CC=C1N2CN(CNC2=S)CC3=CC=CO3 |
| InChIKey | VHSMVQKMIOLPKR-UHFFFAOYSA-N |
Product Overview
1-(2-Ethoxyphenyl)-5-(furan-2-ylmethyl)-1,3,5-triazinane-2-thione (CAS 677017-63-9), with molecular formula C16H19N3O2S and molecular weight 317.12 g/mol. IUPAC: 1-(2-ethoxyphenyl)-5-(furan-2-ylmethyl)-1,3,5-triazinane-2-thione.
Chemical Property Profile of 1-(2-Ethoxyphenyl)-5-(furan-2-ylmethyl)-1,3,5-triazinane-2-thione
Property Insights of 1-(2-Ethoxyphenyl)-5-(furan-2-ylmethyl)-1,3,5-triazinane-2-thione
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Ethoxyphenyl)-5-(furan-2-ylmethyl)-1,3,5-triazinane-2-thione. The TPSA of 73.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Ethoxyphenyl)-5-(furan-2-ylmethyl)-1,3,5-triazinane-2-thione. Following Lipinski's Rule of Five, 1-(2-Ethoxyphenyl)-5-(furan-2-ylmethyl)-1,3,5-triazinane-2-thione has 1 hydrogen bond donor(s) and 4 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-Ethoxyphenyl)-5-(furan-2-ylmethyl)-1,3,5-triazinane-2-thione?
The CAS number of 1-(2-Ethoxyphenyl)-5-(furan-2-ylmethyl)-1,3,5-triazinane-2-thione is 677017-63-9.
What is the molecular formula of 1-(2-Ethoxyphenyl)-5-(furan-2-ylmethyl)-1,3,5-triazinane-2-thione?
The molecular formula of 1-(2-Ethoxyphenyl)-5-(furan-2-ylmethyl)-1,3,5-triazinane-2-thione is C16H19N3O2S.
What is the molecular weight of 1-(2-Ethoxyphenyl)-5-(furan-2-ylmethyl)-1,3,5-triazinane-2-thione?
The molecular weight of 1-(2-Ethoxyphenyl)-5-(furan-2-ylmethyl)-1,3,5-triazinane-2-thione is 317.12 g/mol.
Where can I buy 1-(2-Ethoxyphenyl)-5-(furan-2-ylmethyl)-1,3,5-triazinane-2-thione?
You can request a quote for 1-(2-Ethoxyphenyl)-5-(furan-2-ylmethyl)-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-Ethoxyphenyl)-5-(furan-2-ylmethyl)-1,3,5-triazinane-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Ethoxyphenyl)-5-(furan-2-ylmethyl)-1,3,5-triazinane-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.