Ethyl 4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzoate
TL;DR: Ethyl 4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzoate (CAS 362502-69-0) 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.
ethyl 4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzoate
Also Known As: ChemDiv1_007485, BAS 03356398, ethyl 4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzoate, 4-(4,6-Bis-dimethylamino-[1,3,5]triazin-2-yloxy)-benzoic acid ethyl ester, ethyl 4-((4,6-bis(dimethylamino)-1,3,5-triazin-2-yl)oxy)benzoate
| Molecular Formula | C16H21N5O3 |
|---|---|
| Molecular Weight | 331.16 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 331.16443 |
| Heavy Atoms | 24 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 362502-69-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)OC2=NC(=NC(=N2)N(C)C)N(C)C |
| InChIKey | IDGIYNDIHUBTFO-UHFFFAOYSA-N |
Product Overview
Ethyl 4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzoate (CAS 362502-69-0), with molecular formula C16H21N5O3 and molecular weight 331.16 g/mol. IUPAC: ethyl 4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzoate.
Chemical Property Profile of Ethyl 4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzoate
Property Insights of Ethyl 4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzoate
The XLogP value of 3.0 indicates that Ethyl 4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzoate. Following Lipinski's Rule of Five, Ethyl 4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]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 Ethyl 4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzoate?
The CAS number of Ethyl 4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzoate is 362502-69-0.
What is the molecular formula of Ethyl 4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzoate?
The molecular formula of Ethyl 4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzoate is C16H21N5O3.
What is the molecular weight of Ethyl 4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzoate?
The molecular weight of Ethyl 4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzoate is 331.16 g/mol.
Where can I buy Ethyl 4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzoate?
You can request a quote for Ethyl 4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.