3-((Methylsulfanyl)methyl)-1-benzofuran-2-carboxylic acid
TL;DR: 3-((Methylsulfanyl)methyl)-1-benzofuran-2-carboxylic acid (CAS 743440-27-9) is a chemical compound with molecular formula C11H10O3S and molecular weight 222.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylic acid
Also Known As: 3-[(methylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid, 3-[(methylthio)methyl]-1-benzofuran-2-carboxylic acid, 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylic acid, 3-(methylsulfanylmethyl)benzofuran-2-carboxylic Acid, 3-[(methylsulfanyl)methyl]-1-benzofuran-2-carboxylicacid
| Molecular Formula | C11H10O3S |
|---|---|
| Molecular Weight | 222.04 g/mol |
| LogP | 2.994 |
| Topological Polar Surface Area | 50.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.03506 |
| Heavy Atoms | 15 |
| Complexity | 501.50238 |
Chemical Identifiers
| CAS Number | 743440-27-9 |
|---|---|
| SMILES | CSCC1=C(OC2=CC=CC=C21)C(=O)O |
Product Overview
3-((Methylsulfanyl)methyl)-1-benzofuran-2-carboxylic acid (CAS 743440-27-9), with molecular formula C11H10O3S and molecular weight 222.04 g/mol. IUPAC: 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylic acid.
Chemical Property Profile of 3-((Methylsulfanyl)methyl)-1-benzofuran-2-carboxylic acid
Property Insights of 3-((Methylsulfanyl)methyl)-1-benzofuran-2-carboxylic acid
The XLogP value of 2.994 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((Methylsulfanyl)methyl)-1-benzofuran-2-carboxylic acid. With a topological polar surface area (TPSA) of 50.44 Ų, 3-((Methylsulfanyl)methyl)-1-benzofuran-2-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-((Methylsulfanyl)methyl)-1-benzofuran-2-carboxylic acid has 1 hydrogen bond donor(s) and 3 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 3-((Methylsulfanyl)methyl)-1-benzofuran-2-carboxylic acid?
The CAS number of 3-((Methylsulfanyl)methyl)-1-benzofuran-2-carboxylic acid is 743440-27-9.
What is the molecular formula of 3-((Methylsulfanyl)methyl)-1-benzofuran-2-carboxylic acid?
The molecular formula of 3-((Methylsulfanyl)methyl)-1-benzofuran-2-carboxylic acid is C11H10O3S.
What is the molecular weight of 3-((Methylsulfanyl)methyl)-1-benzofuran-2-carboxylic acid?
The molecular weight of 3-((Methylsulfanyl)methyl)-1-benzofuran-2-carboxylic acid is 222.04 g/mol.
Where can I buy 3-((Methylsulfanyl)methyl)-1-benzofuran-2-carboxylic acid?
You can request a quote for 3-((Methylsulfanyl)methyl)-1-benzofuran-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((Methylsulfanyl)methyl)-1-benzofuran-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-((Methylsulfanyl)methyl)-1-benzofuran-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.