Ethyl 5-carbamoyl-4-methyl-2-(propanoylamino)thiophene-3-carboxylate
TL;DR: Ethyl 5-carbamoyl-4-methyl-2-(propanoylamino)thiophene-3-carboxylate (CAS 354547-61-8) is a chemical compound with molecular formula C12H16N2O4S and molecular weight 284.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-carbamoyl-4-methyl-2-(propanoylamino)thiophene-3-carboxylate
Also Known As: ethyl 5-carbamoyl-4-methyl-2-(propanoylamino)thiophene-3-carboxylate, ethyl 5-(aminocarbonyl)-4-methyl-2-(propionylamino)-3-thiophenecarboxylate
| Molecular Formula | C12H16N2O4S |
|---|---|
| Molecular Weight | 284.08 g/mol |
| LogP | 1.68062 |
| Topological Polar Surface Area | 98.49 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 284.08307 |
| Heavy Atoms | 19 |
| Complexity | 522.0442 |
Chemical Identifiers
| CAS Number | 354547-61-8 |
|---|---|
| SMILES | CCC(=O)NC1=C(C(=C(S1)C(=O)N)C)C(=O)OCC |
Product Overview
Ethyl 5-carbamoyl-4-methyl-2-(propanoylamino)thiophene-3-carboxylate (CAS 354547-61-8), with molecular formula C12H16N2O4S and molecular weight 284.08 g/mol. IUPAC: ethyl 5-carbamoyl-4-methyl-2-(propanoylamino)thiophene-3-carboxylate.
Chemical Property Profile of Ethyl 5-carbamoyl-4-methyl-2-(propanoylamino)thiophene-3-carboxylate
Property Insights of Ethyl 5-carbamoyl-4-methyl-2-(propanoylamino)thiophene-3-carboxylate
The XLogP value of 1.68062 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-carbamoyl-4-methyl-2-(propanoylamino)thiophene-3-carboxylate. The TPSA of 98.49 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-carbamoyl-4-methyl-2-(propanoylamino)thiophene-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 5-carbamoyl-4-methyl-2-(propanoylamino)thiophene-3-carboxylate has 2 hydrogen bond donor(s) and 5 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-carbamoyl-4-methyl-2-(propanoylamino)thiophene-3-carboxylate?
The CAS number of Ethyl 5-carbamoyl-4-methyl-2-(propanoylamino)thiophene-3-carboxylate is 354547-61-8.
What is the molecular formula of Ethyl 5-carbamoyl-4-methyl-2-(propanoylamino)thiophene-3-carboxylate?
The molecular formula of Ethyl 5-carbamoyl-4-methyl-2-(propanoylamino)thiophene-3-carboxylate is C12H16N2O4S.
What is the molecular weight of Ethyl 5-carbamoyl-4-methyl-2-(propanoylamino)thiophene-3-carboxylate?
The molecular weight of Ethyl 5-carbamoyl-4-methyl-2-(propanoylamino)thiophene-3-carboxylate is 284.08 g/mol.
Where can I buy Ethyl 5-carbamoyl-4-methyl-2-(propanoylamino)thiophene-3-carboxylate?
You can request a quote for Ethyl 5-carbamoyl-4-methyl-2-(propanoylamino)thiophene-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 5-carbamoyl-4-methyl-2-(propanoylamino)thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-carbamoyl-4-methyl-2-(propanoylamino)thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.