![Ethyl 5-[(4-methylbenzyl)amino]-3-(2-thienyl)-1,2,4-triazine-6-carboxylate structure](/static/products/339/339104-39-1.png)
Ethyl 5-[(4-methylbenzyl)amino]-3-(2-thienyl)-1,2,4-triazine-6-carboxylate
TL;DR: Ethyl 5-[(4-methylbenzyl)amino]-3-(2-thienyl)-1,2,4-triazine-6-carboxylate (CAS 339104-39-1) is a chemical compound with molecular formula C18H18N4O2S and molecular weight 354.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-[(4-methylphenyl)methylamino]-3-thiophen-2-yl-1,2,4-triazine-6-carboxylate
Also Known As: 8K-553S, ethyl 5-[(4-methylbenzyl)amino]-3-(2-thienyl)-1,2,4-triazine-6-carboxylate, ethyl 5-[(4-methylphenyl)methylamino]-3-thiophen-2-yl-1,2,4-triazine-6-carboxylate, ethyl 5-{[(4-methylphenyl)methyl]amino}-3-(thiophen-2-yl)-1,2,4-triazine-6-carboxylate
| Molecular Formula | C18H18N4O2S |
|---|---|
| Molecular Weight | 354.12 g/mol |
| LogP | 3.69732 |
| Topological Polar Surface Area | 77.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 354.11505 |
| Heavy Atoms | 25 |
| Complexity | 848.02246 |
Chemical Identifiers
| CAS Number | 339104-39-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(N=N1)C2=CC=CS2)NCC3=CC=C(C=C3)C |
Product Overview
Ethyl 5-[(4-methylbenzyl)amino]-3-(2-thienyl)-1,2,4-triazine-6-carboxylate (CAS 339104-39-1), with molecular formula C18H18N4O2S and molecular weight 354.12 g/mol. IUPAC: ethyl 5-[(4-methylphenyl)methylamino]-3-thiophen-2-yl-1,2,4-triazine-6-carboxylate.
Chemical Property Profile of Ethyl 5-[(4-methylbenzyl)amino]-3-(2-thienyl)-1,2,4-triazine-6-carboxylate
Property Insights of Ethyl 5-[(4-methylbenzyl)amino]-3-(2-thienyl)-1,2,4-triazine-6-carboxylate
The XLogP value of 3.69732 indicates that Ethyl 5-[(4-methylbenzyl)amino]-3-(2-thienyl)-1,2,4-triazine-6-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-[(4-methylbenzyl)amino]-3-(2-thienyl)-1,2,4-triazine-6-carboxylate. Following Lipinski's Rule of Five, Ethyl 5-[(4-methylbenzyl)amino]-3-(2-thienyl)-1,2,4-triazine-6-carboxylate has 1 hydrogen bond donor(s) and 7 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 5-[(4-methylbenzyl)amino]-3-(2-thienyl)-1,2,4-triazine-6-carboxylate?
The CAS number of Ethyl 5-[(4-methylbenzyl)amino]-3-(2-thienyl)-1,2,4-triazine-6-carboxylate is 339104-39-1.
What is the molecular formula of Ethyl 5-[(4-methylbenzyl)amino]-3-(2-thienyl)-1,2,4-triazine-6-carboxylate?
The molecular formula of Ethyl 5-[(4-methylbenzyl)amino]-3-(2-thienyl)-1,2,4-triazine-6-carboxylate is C18H18N4O2S.
What is the molecular weight of Ethyl 5-[(4-methylbenzyl)amino]-3-(2-thienyl)-1,2,4-triazine-6-carboxylate?
The molecular weight of Ethyl 5-[(4-methylbenzyl)amino]-3-(2-thienyl)-1,2,4-triazine-6-carboxylate is 354.12 g/mol.
Where can I buy Ethyl 5-[(4-methylbenzyl)amino]-3-(2-thienyl)-1,2,4-triazine-6-carboxylate?
You can request a quote for Ethyl 5-[(4-methylbenzyl)amino]-3-(2-thienyl)-1,2,4-triazine-6-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-[(4-methylbenzyl)amino]-3-(2-thienyl)-1,2,4-triazine-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-[(4-methylbenzyl)amino]-3-(2-thienyl)-1,2,4-triazine-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.