![5-{[(2-Chlorobenzyl)sulfonyl]methyl}-2-furoic acid structure](/static/products/6966/696648-35-8.webp)
5-{[(2-Chlorobenzyl)sulfonyl]methyl}-2-furoic acid
TL;DR: 5-{[(2-Chlorobenzyl)sulfonyl]methyl}-2-furoic acid (CAS 696648-35-8) is a chemical compound with molecular formula C13H11ClO5S and molecular weight 314.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2-chlorophenyl)methylsulfonylmethyl]furan-2-carboxylic acid
Also Known As: 5-{[(2-chlorobenzyl)sulfonyl]methyl}-2-furoic acid, 5-([(2-Chlorobenzyl)sulfonyl]methyl)-2-furoic acid, 5-[(2-chlorophenyl)methylsulfonylmethyl]furan-2-carboxylic Acid, 5-(((2-Chlorobenzyl)sulfonyl)methyl)furan-2-carboxylic acid, 5-{(2-Chlorobenzyl)sulfonylmethyl}-2-furoic acid
| Molecular Formula | C13H11ClO5S |
|---|---|
| Molecular Weight | 314.00 g/mol |
| LogP | 2.7462 |
| Topological Polar Surface Area | 84.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 314.0016 |
| Heavy Atoms | 20 |
| Complexity | 732.72473 |
Chemical Identifiers
| CAS Number | 696648-35-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CS(=O)(=O)CC2=CC=C(O2)C(=O)O)Cl |
Product Overview
5-{[(2-Chlorobenzyl)sulfonyl]methyl}-2-furoic acid (CAS 696648-35-8), with molecular formula C13H11ClO5S and molecular weight 314.00 g/mol. IUPAC: 5-[(2-chlorophenyl)methylsulfonylmethyl]furan-2-carboxylic acid.
Chemical Property Profile of 5-{[(2-Chlorobenzyl)sulfonyl]methyl}-2-furoic acid
Property Insights of 5-{[(2-Chlorobenzyl)sulfonyl]methyl}-2-furoic acid
The XLogP value of 2.7462 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-{[(2-Chlorobenzyl)sulfonyl]methyl}-2-furoic acid. The TPSA of 84.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-{[(2-Chlorobenzyl)sulfonyl]methyl}-2-furoic acid. Following Lipinski's Rule of Five, 5-{[(2-Chlorobenzyl)sulfonyl]methyl}-2-furoic 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-{[(2-Chlorobenzyl)sulfonyl]methyl}-2-furoic acid?
The CAS number of 5-{[(2-Chlorobenzyl)sulfonyl]methyl}-2-furoic acid is 696648-35-8.
What is the molecular formula of 5-{[(2-Chlorobenzyl)sulfonyl]methyl}-2-furoic acid?
The molecular formula of 5-{[(2-Chlorobenzyl)sulfonyl]methyl}-2-furoic acid is C13H11ClO5S.
What is the molecular weight of 5-{[(2-Chlorobenzyl)sulfonyl]methyl}-2-furoic acid?
The molecular weight of 5-{[(2-Chlorobenzyl)sulfonyl]methyl}-2-furoic acid is 314.00 g/mol.
Where can I buy 5-{[(2-Chlorobenzyl)sulfonyl]methyl}-2-furoic acid?
You can request a quote for 5-{[(2-Chlorobenzyl)sulfonyl]methyl}-2-furoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-{[(2-Chlorobenzyl)sulfonyl]methyl}-2-furoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-{[(2-Chlorobenzyl)sulfonyl]methyl}-2-furoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.