![ethyl 5-amino-4-cyano-3-({[2-(2-phenylethenesulfonamido)acetyl]oxy}methyl)thiophene-2-carboxylate structure](/static/products/852/852128-19-9.png)
ethyl 5-amino-4-cyano-3-({[2-(2-phenylethenesulfonamido)acetyl]oxy}methyl)thiophene-2-carboxylate
TL;DR: ethyl 5-amino-4-cyano-3-({[2-(2-phenylethenesulfonamido)acetyl]oxy}methyl)thiophene-2-carboxylate (CAS 852128-19-9) is a chemical compound with molecular formula C19H19N3O6S2 and molecular weight 449.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-amino-4-cyano-3-[[2-[[(E)-2-phenylethenyl]sulfonylamino]acetyl]oxymethyl]thiophene-2-carboxylate
Also Known As: ethyl 5-amino-4-cyano-3-({[2-(2-phenylethenesulfonamido)acetyl]oxy}methyl)thiophene-2-carboxylate, Ethyl 5-amino-4-cyano-3-[[2-(2-phenylethenylsulfonylamino)acetyl]oxymethyl]thiophene-2-carboxylate, ethyl 5-amino-4-cyano-3-[[2-[[(E)-2-phenylethenyl]sulfonylamino]acetyl]oxymethyl]thiophene-2-carboxylate
| Molecular Formula | C19H19N3O6S2 |
|---|---|
| Molecular Weight | 449.07 g/mol |
| LogP | 2.01218 |
| Topological Polar Surface Area | 148.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 449.07153 |
| Heavy Atoms | 30 |
| Complexity | 1085.4633 |
Chemical Identifiers
| CAS Number | 852128-19-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CNS(=O)(=O)/C=C/C2=CC=CC=C2 |
Product Overview
ethyl 5-amino-4-cyano-3-({[2-(2-phenylethenesulfonamido)acetyl]oxy}methyl)thiophene-2-carboxylate (CAS 852128-19-9), with molecular formula C19H19N3O6S2 and molecular weight 449.07 g/mol. IUPAC: ethyl 5-amino-4-cyano-3-[[2-[[(E)-2-phenylethenyl]sulfonylamino]acetyl]oxymethyl]thiophene-2-carboxylate.
Chemical Property Profile of ethyl 5-amino-4-cyano-3-({[2-(2-phenylethenesulfonamido)acetyl]oxy}methyl)thiophene-2-carboxylate
Property Insights of ethyl 5-amino-4-cyano-3-({[2-(2-phenylethenesulfonamido)acetyl]oxy}methyl)thiophene-2-carboxylate
The XLogP value of 2.01218 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 5-amino-4-cyano-3-({[2-(2-phenylethenesulfonamido)acetyl]oxy}methyl)thiophene-2-carboxylate. The TPSA of 148.58 Ų indicates high polarity, suggesting ethyl 5-amino-4-cyano-3-({[2-(2-phenylethenesulfonamido)acetyl]oxy}methyl)thiophene-2-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ethyl 5-amino-4-cyano-3-({[2-(2-phenylethenesulfonamido)acetyl]oxy}methyl)thiophene-2-carboxylate has 2 hydrogen bond donor(s) and 9 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-amino-4-cyano-3-({[2-(2-phenylethenesulfonamido)acetyl]oxy}methyl)thiophene-2-carboxylate?
The CAS number of ethyl 5-amino-4-cyano-3-({[2-(2-phenylethenesulfonamido)acetyl]oxy}methyl)thiophene-2-carboxylate is 852128-19-9.
What is the molecular formula of ethyl 5-amino-4-cyano-3-({[2-(2-phenylethenesulfonamido)acetyl]oxy}methyl)thiophene-2-carboxylate?
The molecular formula of ethyl 5-amino-4-cyano-3-({[2-(2-phenylethenesulfonamido)acetyl]oxy}methyl)thiophene-2-carboxylate is C19H19N3O6S2.
What is the molecular weight of ethyl 5-amino-4-cyano-3-({[2-(2-phenylethenesulfonamido)acetyl]oxy}methyl)thiophene-2-carboxylate?
The molecular weight of ethyl 5-amino-4-cyano-3-({[2-(2-phenylethenesulfonamido)acetyl]oxy}methyl)thiophene-2-carboxylate is 449.07 g/mol.
Where can I buy ethyl 5-amino-4-cyano-3-({[2-(2-phenylethenesulfonamido)acetyl]oxy}methyl)thiophene-2-carboxylate?
You can request a quote for ethyl 5-amino-4-cyano-3-({[2-(2-phenylethenesulfonamido)acetyl]oxy}methyl)thiophene-2-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-amino-4-cyano-3-({[2-(2-phenylethenesulfonamido)acetyl]oxy}methyl)thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-amino-4-cyano-3-({[2-(2-phenylethenesulfonamido)acetyl]oxy}methyl)thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.