![Methyl 2-{4-(ethylamino)-6-[(methylethyl)amino]-1,3,5-triazin-2-yloxy}benzoate structure](/static/products/333/333405-60-0.png)
Methyl 2-{4-(ethylamino)-6-[(methylethyl)amino]-1,3,5-triazin-2-yloxy}benzoate
TL;DR: Methyl 2-{4-(ethylamino)-6-[(methylethyl)amino]-1,3,5-triazin-2-yloxy}benzoate (CAS 333405-60-0) 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.
methyl 2-[[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]benzoate
Also Known As: ChemDiv1_006365, BAS 03356340, AB00105148-01, methyl 2-((4-(ethylamino)-6-(isopropylamino)-1,3,5-triazin-2-yl)oxy)benzoate, methyl 2-[[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]benzoate
| Molecular Formula | C16H21N5O3 |
|---|---|
| Molecular Weight | 331.16 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 98.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 331.16443 |
| Heavy Atoms | 24 |
| Complexity | 396.0 |
Chemical Identifiers
| CAS Number | 333405-60-0 |
|---|---|
| SMILES | CCNC1=NC(=NC(=N1)OC2=CC=CC=C2C(=O)OC)NC(C)C |
| InChIKey | YFSHBLSQBCLNDB-UHFFFAOYSA-N |
Product Overview
Methyl 2-{4-(ethylamino)-6-[(methylethyl)amino]-1,3,5-triazin-2-yloxy}benzoate (CAS 333405-60-0), with molecular formula C16H21N5O3 and molecular weight 331.16 g/mol. IUPAC: methyl 2-[[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]benzoate.
Chemical Property Profile of Methyl 2-{4-(ethylamino)-6-[(methylethyl)amino]-1,3,5-triazin-2-yloxy}benzoate
Property Insights of Methyl 2-{4-(ethylamino)-6-[(methylethyl)amino]-1,3,5-triazin-2-yloxy}benzoate
The XLogP value of 3.8 indicates that Methyl 2-{4-(ethylamino)-6-[(methylethyl)amino]-1,3,5-triazin-2-yloxy}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-{4-(ethylamino)-6-[(methylethyl)amino]-1,3,5-triazin-2-yloxy}benzoate. Following Lipinski's Rule of Five, Methyl 2-{4-(ethylamino)-6-[(methylethyl)amino]-1,3,5-triazin-2-yloxy}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 Methyl 2-{4-(ethylamino)-6-[(methylethyl)amino]-1,3,5-triazin-2-yloxy}benzoate?
The CAS number of Methyl 2-{4-(ethylamino)-6-[(methylethyl)amino]-1,3,5-triazin-2-yloxy}benzoate is 333405-60-0.
What is the molecular formula of Methyl 2-{4-(ethylamino)-6-[(methylethyl)amino]-1,3,5-triazin-2-yloxy}benzoate?
The molecular formula of Methyl 2-{4-(ethylamino)-6-[(methylethyl)amino]-1,3,5-triazin-2-yloxy}benzoate is C16H21N5O3.
What is the molecular weight of Methyl 2-{4-(ethylamino)-6-[(methylethyl)amino]-1,3,5-triazin-2-yloxy}benzoate?
The molecular weight of Methyl 2-{4-(ethylamino)-6-[(methylethyl)amino]-1,3,5-triazin-2-yloxy}benzoate is 331.16 g/mol.
Where can I buy Methyl 2-{4-(ethylamino)-6-[(methylethyl)amino]-1,3,5-triazin-2-yloxy}benzoate?
You can request a quote for Methyl 2-{4-(ethylamino)-6-[(methylethyl)amino]-1,3,5-triazin-2-yloxy}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-{4-(ethylamino)-6-[(methylethyl)amino]-1,3,5-triazin-2-yloxy}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-{4-(ethylamino)-6-[(methylethyl)amino]-1,3,5-triazin-2-yloxy}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.