Ethyl 4-(4-methylphenyl)-2-(propanoylamino)thiophene-3-carboxylate
TL;DR: Ethyl 4-(4-methylphenyl)-2-(propanoylamino)thiophene-3-carboxylate (CAS 546098-75-3) is a chemical compound with molecular formula C17H19NO3S and molecular weight 317.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4-methylphenyl)-2-(propanoylamino)thiophene-3-carboxylate
Also Known As: BAS 08760714, ethyl 4-(4-methylphenyl)-2-(propanoylamino)thiophene-3-carboxylate, ETHYL 4-(4-METHYLPHENYL)-2-PROPANAMIDOTHIOPHENE-3-CARBOXYLATE, ethyl 2-propionamido-4-(p-tolyl)thiophene-3-carboxylate, F3098-8125
| Molecular Formula | C17H19NO3S |
|---|---|
| Molecular Weight | 317.11 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 317.10855 |
| Heavy Atoms | 22 |
| Complexity | 393.0 |
Chemical Identifiers
| CAS Number | 546098-75-3 |
|---|---|
| SMILES | CCC(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)C)C(=O)OCC |
| InChIKey | HDGQDPMPJCUEPP-UHFFFAOYSA-N |
Product Overview
Ethyl 4-(4-methylphenyl)-2-(propanoylamino)thiophene-3-carboxylate (CAS 546098-75-3), with molecular formula C17H19NO3S and molecular weight 317.11 g/mol. IUPAC: ethyl 4-(4-methylphenyl)-2-(propanoylamino)thiophene-3-carboxylate.
Chemical Property Profile of Ethyl 4-(4-methylphenyl)-2-(propanoylamino)thiophene-3-carboxylate
Property Insights of Ethyl 4-(4-methylphenyl)-2-(propanoylamino)thiophene-3-carboxylate
The XLogP value of 4.3 indicates that Ethyl 4-(4-methylphenyl)-2-(propanoylamino)thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(4-methylphenyl)-2-(propanoylamino)thiophene-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-(4-methylphenyl)-2-(propanoylamino)thiophene-3-carboxylate has 1 hydrogen bond donor(s) and 4 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 4-(4-methylphenyl)-2-(propanoylamino)thiophene-3-carboxylate?
The CAS number of Ethyl 4-(4-methylphenyl)-2-(propanoylamino)thiophene-3-carboxylate is 546098-75-3.
What is the molecular formula of Ethyl 4-(4-methylphenyl)-2-(propanoylamino)thiophene-3-carboxylate?
The molecular formula of Ethyl 4-(4-methylphenyl)-2-(propanoylamino)thiophene-3-carboxylate is C17H19NO3S.
What is the molecular weight of Ethyl 4-(4-methylphenyl)-2-(propanoylamino)thiophene-3-carboxylate?
The molecular weight of Ethyl 4-(4-methylphenyl)-2-(propanoylamino)thiophene-3-carboxylate is 317.11 g/mol.
Where can I buy Ethyl 4-(4-methylphenyl)-2-(propanoylamino)thiophene-3-carboxylate?
You can request a quote for Ethyl 4-(4-methylphenyl)-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 4-(4-methylphenyl)-2-(propanoylamino)thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(4-methylphenyl)-2-(propanoylamino)thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.