![5-[(Methylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid structure](/static/products/374/374911-72-5.png)
5-[(Methylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid
TL;DR: 5-[(Methylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid (CAS 374911-72-5) 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.
5-(methylsulfanylmethyl)-1-benzofuran-2-carboxylic acid
Also Known As: 5-(methylsulfanylmethyl)-1-benzofuran-2-carboxylic acid, 5-((methylthio)methyl)benzofuran-2-carboxylic acid, 5-(methylthiomethyl)benzo[b]furan-2-carboxylic acid, 5-[(Methylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid, 5-Methylsulfanylmethyl-benzofuran-2-carboxylic acid
| Molecular Formula | C11H10O3S |
|---|---|
| Molecular Weight | 222.04 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 75.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.03506 |
| Heavy Atoms | 15 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 374911-72-5 |
|---|---|
| SMILES | CSCC1=CC2=C(C=C1)OC(=C2)C(=O)O |
| InChIKey | HKZRIEZNQUUICN-UHFFFAOYSA-N |
Product Overview
5-[(Methylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid (CAS 374911-72-5), with molecular formula C11H10O3S and molecular weight 222.04 g/mol. IUPAC: 5-(methylsulfanylmethyl)-1-benzofuran-2-carboxylic acid.
Chemical Property Profile of 5-[(Methylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid
Property Insights of 5-[(Methylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[(Methylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid. The TPSA of 75.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(Methylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid. Following Lipinski's Rule of Five, 5-[(Methylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid 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 5-[(Methylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid?
The CAS number of 5-[(Methylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid is 374911-72-5.
What is the molecular formula of 5-[(Methylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid?
The molecular formula of 5-[(Methylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid is C11H10O3S.
What is the molecular weight of 5-[(Methylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid?
The molecular weight of 5-[(Methylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid is 222.04 g/mol.
Where can I buy 5-[(Methylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid?
You can request a quote for 5-[(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 5-[(Methylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-[(Methylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.