Ethyl 5-(methoxycarbonyl)-4-methyl-2-(propanoylamino)thiophene-3-carboxylate
TL;DR: Ethyl 5-(methoxycarbonyl)-4-methyl-2-(propanoylamino)thiophene-3-carboxylate (CAS 433690-68-7) is a chemical compound with molecular formula C13H17NO5S and molecular weight 299.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-O-ethyl 2-O-methyl 3-methyl-5-(propanoylamino)thiophene-2,4-dicarboxylate
Also Known As: BAS 05897261, 4-ethyl 2-methyl 3-methyl-5-propionamidothiophene-2,4-dicarboxylate, 4-ethyl 2-methyl 3-methyl-5-(propanoylamino)thiophene-2,4-dicarboxylate, 4-O-ethyl 2-O-methyl 3-methyl-5-(propanoylamino)thiophene-2,4-dicarboxylate, ethyl 5-(methoxycarbonyl)-4-methyl-2-(propanoylamino)thiophene-3-carboxylate
| Molecular Formula | C13H17NO5S |
|---|---|
| Molecular Weight | 299.08 g/mol |
| LogP | 2.36832 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 299.08273 |
| Heavy Atoms | 20 |
| Complexity | 535.10895 |
Chemical Identifiers
| CAS Number | 433690-68-7 |
|---|---|
| SMILES | CCC(=O)NC1=C(C(=C(S1)C(=O)OC)C)C(=O)OCC |
Product Overview
Ethyl 5-(methoxycarbonyl)-4-methyl-2-(propanoylamino)thiophene-3-carboxylate (CAS 433690-68-7), with molecular formula C13H17NO5S and molecular weight 299.08 g/mol. IUPAC: 4-O-ethyl 2-O-methyl 3-methyl-5-(propanoylamino)thiophene-2,4-dicarboxylate.
Chemical Property Profile of Ethyl 5-(methoxycarbonyl)-4-methyl-2-(propanoylamino)thiophene-3-carboxylate
Property Insights of Ethyl 5-(methoxycarbonyl)-4-methyl-2-(propanoylamino)thiophene-3-carboxylate
The XLogP value of 2.36832 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-(methoxycarbonyl)-4-methyl-2-(propanoylamino)thiophene-3-carboxylate. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-(methoxycarbonyl)-4-methyl-2-(propanoylamino)thiophene-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 5-(methoxycarbonyl)-4-methyl-2-(propanoylamino)thiophene-3-carboxylate has 1 hydrogen bond donor(s) and 6 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-(methoxycarbonyl)-4-methyl-2-(propanoylamino)thiophene-3-carboxylate?
The CAS number of Ethyl 5-(methoxycarbonyl)-4-methyl-2-(propanoylamino)thiophene-3-carboxylate is 433690-68-7.
What is the molecular formula of Ethyl 5-(methoxycarbonyl)-4-methyl-2-(propanoylamino)thiophene-3-carboxylate?
The molecular formula of Ethyl 5-(methoxycarbonyl)-4-methyl-2-(propanoylamino)thiophene-3-carboxylate is C13H17NO5S.
What is the molecular weight of Ethyl 5-(methoxycarbonyl)-4-methyl-2-(propanoylamino)thiophene-3-carboxylate?
The molecular weight of Ethyl 5-(methoxycarbonyl)-4-methyl-2-(propanoylamino)thiophene-3-carboxylate is 299.08 g/mol.
Where can I buy Ethyl 5-(methoxycarbonyl)-4-methyl-2-(propanoylamino)thiophene-3-carboxylate?
You can request a quote for Ethyl 5-(methoxycarbonyl)-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-(methoxycarbonyl)-4-methyl-2-(propanoylamino)thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-(methoxycarbonyl)-4-methyl-2-(propanoylamino)thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.