![3-{[(4-Chlorophenyl)sulfanyl]methyl}-1-benzofuran-2-carboxylic acid structure](/static/products/7337/733790-56-2.webp)
3-{[(4-Chlorophenyl)sulfanyl]methyl}-1-benzofuran-2-carboxylic acid
TL;DR: 3-{[(4-Chlorophenyl)sulfanyl]methyl}-1-benzofuran-2-carboxylic acid (CAS 733790-56-2) is a chemical compound with molecular formula C16H11ClO3S and molecular weight 318.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-chlorophenyl)sulfanylmethyl]-1-benzofuran-2-carboxylic acid
Also Known As: 3-{[(4-chlorophenyl)sulfanyl]methyl}-1-benzofuran-2-carboxylic acid, 3-(4-Chloro-phenylsulfanylmethyl)-benzofuran-2-carboxylic acid, 3-[(4-chlorophenyl)sulfanylmethyl]-1-benzofuran-2-carboxylic acid, 3-[(4-chlorophenyl)sulfanylmethyl]benzofuran-2-carboxylic Acid, 3-{(4-chlorophenyl)sulfanylmethyl}-1-benzofuran-2-carboxylic acid
| Molecular Formula | C16H11ClO3S |
|---|---|
| Molecular Weight | 318.01 g/mol |
| LogP | 5.0767 |
| Topological Polar Surface Area | 50.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 318.01175 |
| Heavy Atoms | 21 |
| Complexity | 792.8922 |
Chemical Identifiers
| CAS Number | 733790-56-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(O2)C(=O)O)CSC3=CC=C(C=C3)Cl |
Product Overview
3-{[(4-Chlorophenyl)sulfanyl]methyl}-1-benzofuran-2-carboxylic acid (CAS 733790-56-2), with molecular formula C16H11ClO3S and molecular weight 318.01 g/mol. IUPAC: 3-[(4-chlorophenyl)sulfanylmethyl]-1-benzofuran-2-carboxylic acid.
Chemical Property Profile of 3-{[(4-Chlorophenyl)sulfanyl]methyl}-1-benzofuran-2-carboxylic acid
Property Insights of 3-{[(4-Chlorophenyl)sulfanyl]methyl}-1-benzofuran-2-carboxylic acid
The XLogP value of 5.0767 indicates that 3-{[(4-Chlorophenyl)sulfanyl]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-{[(4-Chlorophenyl)sulfanyl]methyl}-1-benzofuran-2-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-{[(4-Chlorophenyl)sulfanyl]methyl}-1-benzofuran-2-carboxylic acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-{[(4-Chlorophenyl)sulfanyl]methyl}-1-benzofuran-2-carboxylic acid?
The CAS number of 3-{[(4-Chlorophenyl)sulfanyl]methyl}-1-benzofuran-2-carboxylic acid is 733790-56-2.
What is the molecular formula of 3-{[(4-Chlorophenyl)sulfanyl]methyl}-1-benzofuran-2-carboxylic acid?
The molecular formula of 3-{[(4-Chlorophenyl)sulfanyl]methyl}-1-benzofuran-2-carboxylic acid is C16H11ClO3S.
What is the molecular weight of 3-{[(4-Chlorophenyl)sulfanyl]methyl}-1-benzofuran-2-carboxylic acid?
The molecular weight of 3-{[(4-Chlorophenyl)sulfanyl]methyl}-1-benzofuran-2-carboxylic acid is 318.01 g/mol.
Where can I buy 3-{[(4-Chlorophenyl)sulfanyl]methyl}-1-benzofuran-2-carboxylic acid?
You can request a quote for 3-{[(4-Chlorophenyl)sulfanyl]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-{[(4-Chlorophenyl)sulfanyl]methyl}-1-benzofuran-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{[(4-Chlorophenyl)sulfanyl]methyl}-1-benzofuran-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.