![5-Hydroxy-2-[(phenylthio)methyl]-3-benzofurancarboxylic acid ethyl ester structure](/static/products/100/100095-73-6.png)
5-Hydroxy-2-[(phenylthio)methyl]-3-benzofurancarboxylic acid ethyl ester
TL;DR: 5-Hydroxy-2-[(phenylthio)methyl]-3-benzofurancarboxylic acid ethyl ester (CAS 100095-73-6) is a chemical compound with molecular formula C18H16O4S and molecular weight 328.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-hydroxy-2-(phenylsulfanylmethyl)-1-benzofuran-3-carboxylate
Also Known As: ethyl 5-hydroxy-2-(phenylsulfanylmethyl)-1-benzofuran-3-carboxylate, 5-hydroxy-2-[(phenylthio)methyl]-3-benzofurancarboxylic acid ethyl ester, 2-phenylthiomethyl-3-carbethoxy-5-hydroxybenzofuran, ethyl 5-hydroxy-2-((phenylthio)methyl)benzofuran-3-carboxylate, 5-Hydroxy-2-phenylsulfanylmethyl-benzofuran-3-carboxylic acid ethyl ester
| Molecular Formula | C18H16O4S |
|---|---|
| Molecular Weight | 328.08 g/mol |
| LogP | 4.6074 |
| Topological Polar Surface Area | 59.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 328.07693 |
| Heavy Atoms | 23 |
| Complexity | 823.6588 |
Chemical Identifiers
| CAS Number | 100095-73-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC2=C1C=C(C=C2)O)CSC3=CC=CC=C3 |
Product Overview
5-Hydroxy-2-[(phenylthio)methyl]-3-benzofurancarboxylic acid ethyl ester (CAS 100095-73-6), with molecular formula C18H16O4S and molecular weight 328.08 g/mol. IUPAC: ethyl 5-hydroxy-2-(phenylsulfanylmethyl)-1-benzofuran-3-carboxylate.
Chemical Property Profile of 5-Hydroxy-2-[(phenylthio)methyl]-3-benzofurancarboxylic acid ethyl ester
Property Insights of 5-Hydroxy-2-[(phenylthio)methyl]-3-benzofurancarboxylic acid ethyl ester
The XLogP value of 4.6074 indicates that 5-Hydroxy-2-[(phenylthio)methyl]-3-benzofurancarboxylic acid ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.67 Ų, 5-Hydroxy-2-[(phenylthio)methyl]-3-benzofurancarboxylic acid ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Hydroxy-2-[(phenylthio)methyl]-3-benzofurancarboxylic acid ethyl ester 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 5-Hydroxy-2-[(phenylthio)methyl]-3-benzofurancarboxylic acid ethyl ester?
The CAS number of 5-Hydroxy-2-[(phenylthio)methyl]-3-benzofurancarboxylic acid ethyl ester is 100095-73-6.
What is the molecular formula of 5-Hydroxy-2-[(phenylthio)methyl]-3-benzofurancarboxylic acid ethyl ester?
The molecular formula of 5-Hydroxy-2-[(phenylthio)methyl]-3-benzofurancarboxylic acid ethyl ester is C18H16O4S.
What is the molecular weight of 5-Hydroxy-2-[(phenylthio)methyl]-3-benzofurancarboxylic acid ethyl ester?
The molecular weight of 5-Hydroxy-2-[(phenylthio)methyl]-3-benzofurancarboxylic acid ethyl ester is 328.08 g/mol.
Where can I buy 5-Hydroxy-2-[(phenylthio)methyl]-3-benzofurancarboxylic acid ethyl ester?
You can request a quote for 5-Hydroxy-2-[(phenylthio)methyl]-3-benzofurancarboxylic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Hydroxy-2-[(phenylthio)methyl]-3-benzofurancarboxylic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 5-Hydroxy-2-[(phenylthio)methyl]-3-benzofurancarboxylic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.