ethyl 2-(2-((4,6-dimethylpyrimidin-2-yl)thio)acetamido)-5-phenylthiophene-3-carboxylate
TL;DR: ethyl 2-(2-((4,6-dimethylpyrimidin-2-yl)thio)acetamido)-5-phenylthiophene-3-carboxylate (CAS 710984-87-5) is a chemical compound with molecular formula C21H21N3O3S2 and molecular weight 427.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-5-phenylthiophene-3-carboxylate
Also Known As: ethyl 2-(2-((4,6-dimethylpyrimidin-2-yl)thio)acetamido)-5-phenylthiophene-3-carboxylate, ethyl 2-({[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}amino)-5-phenylthiophene-3-carboxylate, ETHYL 2-({2-[(4,6-DIMETHYL-2-PYRIMIDINYL)SULFANYL]ACETYL}AMINO)-5-PHENYL-3-THIOPHENECARBOXYLATE, Ethyl 2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-5-phenyl-thiophene-3-carboxylate, ethyl 2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-5-phenylthiophene-3-carboxylate
| Molecular Formula | C21H21N3O3S2 |
|---|---|
| Molecular Weight | 427.10 g/mol |
| LogP | 4.72944 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 427.10245 |
| Heavy Atoms | 29 |
| Complexity | 999.01575 |
Chemical Identifiers
| CAS Number | 710984-87-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)CSC3=NC(=CC(=N3)C)C |
Product Overview
ethyl 2-(2-((4,6-dimethylpyrimidin-2-yl)thio)acetamido)-5-phenylthiophene-3-carboxylate (CAS 710984-87-5), with molecular formula C21H21N3O3S2 and molecular weight 427.10 g/mol. IUPAC: ethyl 2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-5-phenylthiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-(2-((4,6-dimethylpyrimidin-2-yl)thio)acetamido)-5-phenylthiophene-3-carboxylate
Property Insights of ethyl 2-(2-((4,6-dimethylpyrimidin-2-yl)thio)acetamido)-5-phenylthiophene-3-carboxylate
The XLogP value of 4.72944 indicates that ethyl 2-(2-((4,6-dimethylpyrimidin-2-yl)thio)acetamido)-5-phenylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.18 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(2-((4,6-dimethylpyrimidin-2-yl)thio)acetamido)-5-phenylthiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-(2-((4,6-dimethylpyrimidin-2-yl)thio)acetamido)-5-phenylthiophene-3-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 2-(2-((4,6-dimethylpyrimidin-2-yl)thio)acetamido)-5-phenylthiophene-3-carboxylate?
The CAS number of ethyl 2-(2-((4,6-dimethylpyrimidin-2-yl)thio)acetamido)-5-phenylthiophene-3-carboxylate is 710984-87-5.
What is the molecular formula of ethyl 2-(2-((4,6-dimethylpyrimidin-2-yl)thio)acetamido)-5-phenylthiophene-3-carboxylate?
The molecular formula of ethyl 2-(2-((4,6-dimethylpyrimidin-2-yl)thio)acetamido)-5-phenylthiophene-3-carboxylate is C21H21N3O3S2.
What is the molecular weight of ethyl 2-(2-((4,6-dimethylpyrimidin-2-yl)thio)acetamido)-5-phenylthiophene-3-carboxylate?
The molecular weight of ethyl 2-(2-((4,6-dimethylpyrimidin-2-yl)thio)acetamido)-5-phenylthiophene-3-carboxylate is 427.10 g/mol.
Where can I buy ethyl 2-(2-((4,6-dimethylpyrimidin-2-yl)thio)acetamido)-5-phenylthiophene-3-carboxylate?
You can request a quote for ethyl 2-(2-((4,6-dimethylpyrimidin-2-yl)thio)acetamido)-5-phenylthiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-(2-((4,6-dimethylpyrimidin-2-yl)thio)acetamido)-5-phenylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(2-((4,6-dimethylpyrimidin-2-yl)thio)acetamido)-5-phenylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.