![2-{[4,6-Bis(ethylamino)-1,3,5-triazin-2-yl]sulfanyl}ethyl benzoate structure](/static/products/570/57006-38-9.png)
2-{[4,6-Bis(ethylamino)-1,3,5-triazin-2-yl]sulfanyl}ethyl benzoate
TL;DR: 2-{[4,6-Bis(ethylamino)-1,3,5-triazin-2-yl]sulfanyl}ethyl benzoate (CAS 57006-38-9) is a chemical compound with molecular formula C16H21N5O2S and molecular weight 347.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]ethyl benzoate
Also Known As: ChemDiv1_003385, BAS 01322304, 2-{[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]sulfanyl}ethyl benzoate, Benzoic acid 2-(4,6-bis-ethylamino-[1,3,5]triazin-2-ylsulfanyl)-ethyl ester, 2-((4,6-bis(ethylamino)-1,3,5-triazin-2-yl)thio)ethyl benzoate
| Molecular Formula | C16H21N5O2S |
|---|---|
| Molecular Weight | 347.14 g/mol |
| LogP | 2.6843 |
| Topological Polar Surface Area | 89.03 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 347.1416 |
| Heavy Atoms | 24 |
| Complexity | 629.92096 |
Chemical Identifiers
| CAS Number | 57006-38-9 |
|---|---|
| SMILES | CCNC1=NC(=NC(=N1)SCCOC(=O)C2=CC=CC=C2)NCC |
Product Overview
2-{[4,6-Bis(ethylamino)-1,3,5-triazin-2-yl]sulfanyl}ethyl benzoate (CAS 57006-38-9), with molecular formula C16H21N5O2S and molecular weight 347.14 g/mol. IUPAC: 2-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]ethyl benzoate.
Chemical Property Profile of 2-{[4,6-Bis(ethylamino)-1,3,5-triazin-2-yl]sulfanyl}ethyl benzoate
Property Insights of 2-{[4,6-Bis(ethylamino)-1,3,5-triazin-2-yl]sulfanyl}ethyl benzoate
The XLogP value of 2.6843 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[4,6-Bis(ethylamino)-1,3,5-triazin-2-yl]sulfanyl}ethyl benzoate. The TPSA of 89.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[4,6-Bis(ethylamino)-1,3,5-triazin-2-yl]sulfanyl}ethyl benzoate. Following Lipinski's Rule of Five, 2-{[4,6-Bis(ethylamino)-1,3,5-triazin-2-yl]sulfanyl}ethyl benzoate has 2 hydrogen bond donor(s) and 8 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 2-{[4,6-Bis(ethylamino)-1,3,5-triazin-2-yl]sulfanyl}ethyl benzoate?
The CAS number of 2-{[4,6-Bis(ethylamino)-1,3,5-triazin-2-yl]sulfanyl}ethyl benzoate is 57006-38-9.
What is the molecular formula of 2-{[4,6-Bis(ethylamino)-1,3,5-triazin-2-yl]sulfanyl}ethyl benzoate?
The molecular formula of 2-{[4,6-Bis(ethylamino)-1,3,5-triazin-2-yl]sulfanyl}ethyl benzoate is C16H21N5O2S.
What is the molecular weight of 2-{[4,6-Bis(ethylamino)-1,3,5-triazin-2-yl]sulfanyl}ethyl benzoate?
The molecular weight of 2-{[4,6-Bis(ethylamino)-1,3,5-triazin-2-yl]sulfanyl}ethyl benzoate is 347.14 g/mol.
Where can I buy 2-{[4,6-Bis(ethylamino)-1,3,5-triazin-2-yl]sulfanyl}ethyl benzoate?
You can request a quote for 2-{[4,6-Bis(ethylamino)-1,3,5-triazin-2-yl]sulfanyl}ethyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[4,6-Bis(ethylamino)-1,3,5-triazin-2-yl]sulfanyl}ethyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-{[4,6-Bis(ethylamino)-1,3,5-triazin-2-yl]sulfanyl}ethyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.