2-((4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl)oxy)ethyl benzoate
TL;DR: 2-((4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl)oxy)ethyl benzoate (CAS 57006-27-6) is a chemical compound with molecular formula C16H21N5O3 and molecular weight 331.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl benzoate
Also Known As: ChemDiv1_003427, BAS 01322288, Benzoic acid 2-(4,6-bis-dimethylamino-[1,3,5]triazin-2-yloxy)-ethyl ester, 2-((4,6-bis(dimethylamino)-1,3,5-triazin-2-yl)oxy)ethyl benzoate, 2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl benzoate
| Molecular Formula | C16H21N5O3 |
|---|---|
| Molecular Weight | 331.16 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 331.16443 |
| Heavy Atoms | 24 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 57006-27-6 |
|---|---|
| SMILES | CN(C)C1=NC(=NC(=N1)OCCOC(=O)C2=CC=CC=C2)N(C)C |
| InChIKey | GXHCYLBSTKBISE-UHFFFAOYSA-N |
Product Overview
2-((4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl)oxy)ethyl benzoate (CAS 57006-27-6), with molecular formula C16H21N5O3 and molecular weight 331.16 g/mol. IUPAC: 2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl benzoate.
Chemical Property Profile of 2-((4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl)oxy)ethyl benzoate
Property Insights of 2-((4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl)oxy)ethyl benzoate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl)oxy)ethyl benzoate. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl)oxy)ethyl benzoate. Following Lipinski's Rule of Five, 2-((4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl)oxy)ethyl benzoate has 0 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(dimethylamino)-1,3,5-triazin-2-yl)oxy)ethyl benzoate?
The CAS number of 2-((4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl)oxy)ethyl benzoate is 57006-27-6.
What is the molecular formula of 2-((4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl)oxy)ethyl benzoate?
The molecular formula of 2-((4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl)oxy)ethyl benzoate is C16H21N5O3.
What is the molecular weight of 2-((4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl)oxy)ethyl benzoate?
The molecular weight of 2-((4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl)oxy)ethyl benzoate is 331.16 g/mol.
Where can I buy 2-((4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl)oxy)ethyl benzoate?
You can request a quote for 2-((4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl)oxy)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(dimethylamino)-1,3,5-triazin-2-yl)oxy)ethyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-((4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl)oxy)ethyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.