Ethyl 5-(1-pyrrolidinyl)-3-(2-thienyl)-1,2,4-triazine-6-carboxylate
TL;DR: Ethyl 5-(1-pyrrolidinyl)-3-(2-thienyl)-1,2,4-triazine-6-carboxylate (CAS 339014-22-1) is a chemical compound with molecular formula C14H16N4O2S and molecular weight 304.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-pyrrolidin-1-yl-3-thiophen-2-yl-1,2,4-triazine-6-carboxylate
Also Known As: 7K-629S, ethyl 5-(1-pyrrolidinyl)-3-(2-thienyl)-1,2,4-triazine-6-carboxylate, ethyl 5-pyrrolidin-1-yl-3-thiophen-2-yl-1,2,4-triazine-6-carboxylate, ethyl 5-(pyrrolidin-1-yl)-3-(thiophen-2-yl)-1,2,4-triazine-6-carboxylate
| Molecular Formula | C14H16N4O2S |
|---|---|
| Molecular Weight | 304.10 g/mol |
| LogP | 2.377 |
| Topological Polar Surface Area | 68.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 304.0994 |
| Heavy Atoms | 21 |
| Complexity | 623.9092 |
Chemical Identifiers
| CAS Number | 339014-22-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(N=N1)C2=CC=CS2)N3CCCC3 |
Product Overview
Ethyl 5-(1-pyrrolidinyl)-3-(2-thienyl)-1,2,4-triazine-6-carboxylate (CAS 339014-22-1), with molecular formula C14H16N4O2S and molecular weight 304.10 g/mol. IUPAC: ethyl 5-pyrrolidin-1-yl-3-thiophen-2-yl-1,2,4-triazine-6-carboxylate.
Chemical Property Profile of Ethyl 5-(1-pyrrolidinyl)-3-(2-thienyl)-1,2,4-triazine-6-carboxylate
Property Insights of Ethyl 5-(1-pyrrolidinyl)-3-(2-thienyl)-1,2,4-triazine-6-carboxylate
The XLogP value of 2.377 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-(1-pyrrolidinyl)-3-(2-thienyl)-1,2,4-triazine-6-carboxylate. The TPSA of 68.21 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-(1-pyrrolidinyl)-3-(2-thienyl)-1,2,4-triazine-6-carboxylate. Following Lipinski's Rule of Five, Ethyl 5-(1-pyrrolidinyl)-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-(1-pyrrolidinyl)-3-(2-thienyl)-1,2,4-triazine-6-carboxylate?
The CAS number of Ethyl 5-(1-pyrrolidinyl)-3-(2-thienyl)-1,2,4-triazine-6-carboxylate is 339014-22-1.
What is the molecular formula of Ethyl 5-(1-pyrrolidinyl)-3-(2-thienyl)-1,2,4-triazine-6-carboxylate?
The molecular formula of Ethyl 5-(1-pyrrolidinyl)-3-(2-thienyl)-1,2,4-triazine-6-carboxylate is C14H16N4O2S.
What is the molecular weight of Ethyl 5-(1-pyrrolidinyl)-3-(2-thienyl)-1,2,4-triazine-6-carboxylate?
The molecular weight of Ethyl 5-(1-pyrrolidinyl)-3-(2-thienyl)-1,2,4-triazine-6-carboxylate is 304.10 g/mol.
Where can I buy Ethyl 5-(1-pyrrolidinyl)-3-(2-thienyl)-1,2,4-triazine-6-carboxylate?
You can request a quote for Ethyl 5-(1-pyrrolidinyl)-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-(1-pyrrolidinyl)-3-(2-thienyl)-1,2,4-triazine-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-(1-pyrrolidinyl)-3-(2-thienyl)-1,2,4-triazine-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.