Ethyl 3-(3-(phenylthio)propanamido)benzofuran-2-carboxylate
TL;DR: Ethyl 3-(3-(phenylthio)propanamido)benzofuran-2-carboxylate (CAS 477500-96-2) is a chemical compound with molecular formula C20H19NO4S and molecular weight 369.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(3-phenylsulfanylpropanoylamino)-1-benzofuran-2-carboxylate
Also Known As: IFLab1_004183, ethyl 3-[3-(phenylsulfanyl)propanamido]-1-benzofuran-2-carboxylate, ethyl 3-(3-(phenylthio)propanamido)benzofuran-2-carboxylate, F0846-0683, ethyl 3-(3-phenylsulfanylpropanoylamino)-1-benzofuran-2-carboxylate
| Molecular Formula | C20H19NO4S |
|---|---|
| Molecular Weight | 369.10 g/mol |
| LogP | 4.7304 |
| Topological Polar Surface Area | 68.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 369.1035 |
| Heavy Atoms | 26 |
| Complexity | 904.575 |
Chemical Identifiers
| CAS Number | 477500-96-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=CC=CC=C2O1)NC(=O)CCSC3=CC=CC=C3 |
Product Overview
Ethyl 3-(3-(phenylthio)propanamido)benzofuran-2-carboxylate (CAS 477500-96-2), with molecular formula C20H19NO4S and molecular weight 369.10 g/mol. IUPAC: ethyl 3-(3-phenylsulfanylpropanoylamino)-1-benzofuran-2-carboxylate.
Chemical Property Profile of Ethyl 3-(3-(phenylthio)propanamido)benzofuran-2-carboxylate
Property Insights of Ethyl 3-(3-(phenylthio)propanamido)benzofuran-2-carboxylate
The XLogP value of 4.7304 indicates that Ethyl 3-(3-(phenylthio)propanamido)benzofuran-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.54 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-(3-(phenylthio)propanamido)benzofuran-2-carboxylate. Following Lipinski's Rule of Five, Ethyl 3-(3-(phenylthio)propanamido)benzofuran-2-carboxylate has 1 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 3-(3-(phenylthio)propanamido)benzofuran-2-carboxylate?
The CAS number of Ethyl 3-(3-(phenylthio)propanamido)benzofuran-2-carboxylate is 477500-96-2.
What is the molecular formula of Ethyl 3-(3-(phenylthio)propanamido)benzofuran-2-carboxylate?
The molecular formula of Ethyl 3-(3-(phenylthio)propanamido)benzofuran-2-carboxylate is C20H19NO4S.
What is the molecular weight of Ethyl 3-(3-(phenylthio)propanamido)benzofuran-2-carboxylate?
The molecular weight of Ethyl 3-(3-(phenylthio)propanamido)benzofuran-2-carboxylate is 369.10 g/mol.
Where can I buy Ethyl 3-(3-(phenylthio)propanamido)benzofuran-2-carboxylate?
You can request a quote for Ethyl 3-(3-(phenylthio)propanamido)benzofuran-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 3-(3-(phenylthio)propanamido)benzofuran-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(3-(phenylthio)propanamido)benzofuran-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.