Ethyl 5-phenoxy-3-(2-thienyl)-1,2,4-triazine-6-carboxylate
TL;DR: Ethyl 5-phenoxy-3-(2-thienyl)-1,2,4-triazine-6-carboxylate (CAS 400085-55-4) is a chemical compound with molecular formula C16H13N3O3S and molecular weight 327.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-phenoxy-3-thiophen-2-yl-1,2,4-triazine-6-carboxylate
Also Known As: 6K-676S, ethyl 5-phenoxy-3-(2-thienyl)-1,2,4-triazine-6-carboxylate, Ethyl 5-phenoxy-3-thiophen-2-yl-1,2,4-triazine-6-carboxylate, ethyl 5-phenoxy-3-(thiophen-2-yl)-1,2,4-triazine-6-carboxylate
| Molecular Formula | C16H13N3O3S |
|---|---|
| Molecular Weight | 327.07 g/mol |
| LogP | 3.5691 |
| Topological Polar Surface Area | 74.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 327.06775 |
| Heavy Atoms | 23 |
| Complexity | 791.59485 |
Chemical Identifiers
| CAS Number | 400085-55-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(N=N1)C2=CC=CS2)OC3=CC=CC=C3 |
Product Overview
Ethyl 5-phenoxy-3-(2-thienyl)-1,2,4-triazine-6-carboxylate (CAS 400085-55-4), with molecular formula C16H13N3O3S and molecular weight 327.07 g/mol. IUPAC: ethyl 5-phenoxy-3-thiophen-2-yl-1,2,4-triazine-6-carboxylate.
Chemical Property Profile of Ethyl 5-phenoxy-3-(2-thienyl)-1,2,4-triazine-6-carboxylate
Property Insights of Ethyl 5-phenoxy-3-(2-thienyl)-1,2,4-triazine-6-carboxylate
The XLogP value of 3.5691 indicates that Ethyl 5-phenoxy-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 74.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-phenoxy-3-(2-thienyl)-1,2,4-triazine-6-carboxylate. Following Lipinski's Rule of Five, Ethyl 5-phenoxy-3-(2-thienyl)-1,2,4-triazine-6-carboxylate has 0 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-phenoxy-3-(2-thienyl)-1,2,4-triazine-6-carboxylate?
The CAS number of Ethyl 5-phenoxy-3-(2-thienyl)-1,2,4-triazine-6-carboxylate is 400085-55-4.
What is the molecular formula of Ethyl 5-phenoxy-3-(2-thienyl)-1,2,4-triazine-6-carboxylate?
The molecular formula of Ethyl 5-phenoxy-3-(2-thienyl)-1,2,4-triazine-6-carboxylate is C16H13N3O3S.
What is the molecular weight of Ethyl 5-phenoxy-3-(2-thienyl)-1,2,4-triazine-6-carboxylate?
The molecular weight of Ethyl 5-phenoxy-3-(2-thienyl)-1,2,4-triazine-6-carboxylate is 327.07 g/mol.
Where can I buy Ethyl 5-phenoxy-3-(2-thienyl)-1,2,4-triazine-6-carboxylate?
You can request a quote for Ethyl 5-phenoxy-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-phenoxy-3-(2-thienyl)-1,2,4-triazine-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-phenoxy-3-(2-thienyl)-1,2,4-triazine-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.