![5-[(Pentylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid structure](/static/products/330/330829-58-8.png)
5-[(Pentylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid
TL;DR: 5-[(Pentylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid (CAS 330829-58-8) is a chemical compound with molecular formula C15H18O3S and molecular weight 278.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(pentylsulfanylmethyl)-1-benzofuran-2-carboxylic acid
Also Known As: 5-[(pentylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid, 5-((pentylthio)methyl)benzofuran-2-carboxylic acid, 5-(pentylsulfanylmethyl)benzofuran-2-carboxylic Acid, 5-(pentylsulfanylmethyl)-1-benzofuran-2-carboxylic acid
| Molecular Formula | C15H18O3S |
|---|---|
| Molecular Weight | 278.10 g/mol |
| LogP | 4.5544 |
| Topological Polar Surface Area | 50.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 278.09766 |
| Heavy Atoms | 19 |
| Complexity | 559.51605 |
Chemical Identifiers
| CAS Number | 330829-58-8 |
|---|---|
| SMILES | CCCCCSCC1=CC2=C(C=C1)OC(=C2)C(=O)O |
Product Overview
5-[(Pentylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid (CAS 330829-58-8), with molecular formula C15H18O3S and molecular weight 278.10 g/mol. IUPAC: 5-(pentylsulfanylmethyl)-1-benzofuran-2-carboxylic acid.
Chemical Property Profile of 5-[(Pentylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid
Property Insights of 5-[(Pentylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid
The XLogP value of 4.5544 indicates that 5-[(Pentylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.44 Ų, 5-[(Pentylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-[(Pentylsulfanyl)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 5-[(Pentylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid?
The CAS number of 5-[(Pentylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid is 330829-58-8.
What is the molecular formula of 5-[(Pentylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid?
The molecular formula of 5-[(Pentylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid is C15H18O3S.
What is the molecular weight of 5-[(Pentylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid?
The molecular weight of 5-[(Pentylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid is 278.10 g/mol.
Where can I buy 5-[(Pentylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid?
You can request a quote for 5-[(Pentylsulfanyl)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-[(Pentylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-[(Pentylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.