![3-[(Benzylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid structure](/static/products/5651/565174-28-9.webp)
3-[(Benzylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid
TL;DR: 3-[(Benzylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid (CAS 565174-28-9) is a chemical compound with molecular formula C17H14O3S and molecular weight 298.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(benzylsulfanylmethyl)-1-benzofuran-2-carboxylic acid
Also Known As: 3-[(benzylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid, 3-Benzylsulfanylmethyl-benzofuran-2-carboxylic acid, 3-(benzylsulfanylmethyl)-1-benzofuran-2-carboxylic acid, 3-(benzylsulfanylmethyl)benzofuran-2-carboxylic Acid, 3-[(benzylsulfanyl)methyl]-1-benzofuran-2-carboxylicacid
| Molecular Formula | C17H14O3S |
|---|---|
| Molecular Weight | 298.07 g/mol |
| LogP | 4.5644 |
| Topological Polar Surface Area | 50.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 298.06638 |
| Heavy Atoms | 21 |
| Complexity | 762.0611 |
Chemical Identifiers
| CAS Number | 565174-28-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSCC2=C(OC3=CC=CC=C32)C(=O)O |
Product Overview
3-[(Benzylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid (CAS 565174-28-9), with molecular formula C17H14O3S and molecular weight 298.07 g/mol. IUPAC: 3-(benzylsulfanylmethyl)-1-benzofuran-2-carboxylic acid.
Chemical Property Profile of 3-[(Benzylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid
Property Insights of 3-[(Benzylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid
The XLogP value of 4.5644 indicates that 3-[(Benzylsulfanyl)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, 3-[(Benzylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(Benzylsulfanyl)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-[(Benzylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid?
The CAS number of 3-[(Benzylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid is 565174-28-9.
What is the molecular formula of 3-[(Benzylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid?
The molecular formula of 3-[(Benzylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid is C17H14O3S.
What is the molecular weight of 3-[(Benzylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid?
The molecular weight of 3-[(Benzylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid is 298.07 g/mol.
Where can I buy 3-[(Benzylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid?
You can request a quote for 3-[(Benzylsulfanyl)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-[(Benzylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(Benzylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.