![5-{[(4-Methylphenyl)sulfonyl]methyl}furan-2-carboxylic acid structure](/static/products/897/897769-35-6.png)
5-{[(4-Methylphenyl)sulfonyl]methyl}furan-2-carboxylic acid
TL;DR: 5-{[(4-Methylphenyl)sulfonyl]methyl}furan-2-carboxylic acid (CAS 897769-35-6) is a chemical compound with molecular formula C13H12O5S and molecular weight 280.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-methylphenyl)sulfonylmethyl]furan-2-carboxylic acid
Also Known As: 5-(tosylmethyl)-2-furoic acid, 5-{[(4-methylphenyl)sulfonyl]methyl}furan-2-carboxylic acid, 5-{[(4-methylphenyl)sulfonyl]methyl}-2-furoic acid, 5-(Toluene-4-sulfonylmethyl)-furan-2-carboxyl ic acid, 5-[(4-methylphenyl)sulfonylmethyl]-2-furancarboxylic acid
| Molecular Formula | C13H12O5S |
|---|---|
| Molecular Weight | 280.04 g/mol |
| LogP | 2.26012 |
| Topological Polar Surface Area | 84.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 280.04056 |
| Heavy Atoms | 19 |
| Complexity | 694.8897 |
Chemical Identifiers
| CAS Number | 897769-35-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)CC2=CC=C(O2)C(=O)O |
Product Overview
5-{[(4-Methylphenyl)sulfonyl]methyl}furan-2-carboxylic acid (CAS 897769-35-6), with molecular formula C13H12O5S and molecular weight 280.04 g/mol. IUPAC: 5-[(4-methylphenyl)sulfonylmethyl]furan-2-carboxylic acid.
Chemical Property Profile of 5-{[(4-Methylphenyl)sulfonyl]methyl}furan-2-carboxylic acid
Property Insights of 5-{[(4-Methylphenyl)sulfonyl]methyl}furan-2-carboxylic acid
The XLogP value of 2.26012 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-{[(4-Methylphenyl)sulfonyl]methyl}furan-2-carboxylic acid. The TPSA of 84.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-{[(4-Methylphenyl)sulfonyl]methyl}furan-2-carboxylic acid. Following Lipinski's Rule of Five, 5-{[(4-Methylphenyl)sulfonyl]methyl}furan-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-{[(4-Methylphenyl)sulfonyl]methyl}furan-2-carboxylic acid?
The CAS number of 5-{[(4-Methylphenyl)sulfonyl]methyl}furan-2-carboxylic acid is 897769-35-6.
What is the molecular formula of 5-{[(4-Methylphenyl)sulfonyl]methyl}furan-2-carboxylic acid?
The molecular formula of 5-{[(4-Methylphenyl)sulfonyl]methyl}furan-2-carboxylic acid is C13H12O5S.
What is the molecular weight of 5-{[(4-Methylphenyl)sulfonyl]methyl}furan-2-carboxylic acid?
The molecular weight of 5-{[(4-Methylphenyl)sulfonyl]methyl}furan-2-carboxylic acid is 280.04 g/mol.
Where can I buy 5-{[(4-Methylphenyl)sulfonyl]methyl}furan-2-carboxylic acid?
You can request a quote for 5-{[(4-Methylphenyl)sulfonyl]methyl}furan-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-{[(4-Methylphenyl)sulfonyl]methyl}furan-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-{[(4-Methylphenyl)sulfonyl]methyl}furan-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.