![5-{[(4-Methylbenzyl)sulfonyl]methyl}-2-furoic acid structure](/static/products/6966/696648-25-6.webp)
5-{[(4-Methylbenzyl)sulfonyl]methyl}-2-furoic acid
TL;DR: 5-{[(4-Methylbenzyl)sulfonyl]methyl}-2-furoic acid (CAS 696648-25-6) is a chemical compound with molecular formula C14H14O5S and molecular weight 294.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-methylphenyl)methylsulfonylmethyl]furan-2-carboxylic acid
Also Known As: ChemDiv2_003329, starbld0015676, 5-{[(4-methylbenzyl)sulfonyl]methyl}-2-furoic acid, 5-{[(4-methylbenzyl)sulfonyl]methyl}furan-2-carboxylic acid, BB 0242428
| Molecular Formula | C14H14O5S |
|---|---|
| Molecular Weight | 294.06 g/mol |
| LogP | 2.40122 |
| Topological Polar Surface Area | 84.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 294.05618 |
| Heavy Atoms | 20 |
| Complexity | 710.27747 |
Chemical Identifiers
| CAS Number | 696648-25-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CS(=O)(=O)CC2=CC=C(O2)C(=O)O |
Product Overview
5-{[(4-Methylbenzyl)sulfonyl]methyl}-2-furoic acid (CAS 696648-25-6), with molecular formula C14H14O5S and molecular weight 294.06 g/mol. IUPAC: 5-[(4-methylphenyl)methylsulfonylmethyl]furan-2-carboxylic acid.
Chemical Property Profile of 5-{[(4-Methylbenzyl)sulfonyl]methyl}-2-furoic acid
Property Insights of 5-{[(4-Methylbenzyl)sulfonyl]methyl}-2-furoic acid
The XLogP value of 2.40122 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-{[(4-Methylbenzyl)sulfonyl]methyl}-2-furoic acid. The TPSA of 84.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-{[(4-Methylbenzyl)sulfonyl]methyl}-2-furoic acid. Following Lipinski's Rule of Five, 5-{[(4-Methylbenzyl)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-{[(4-Methylbenzyl)sulfonyl]methyl}-2-furoic acid?
The CAS number of 5-{[(4-Methylbenzyl)sulfonyl]methyl}-2-furoic acid is 696648-25-6.
What is the molecular formula of 5-{[(4-Methylbenzyl)sulfonyl]methyl}-2-furoic acid?
The molecular formula of 5-{[(4-Methylbenzyl)sulfonyl]methyl}-2-furoic acid is C14H14O5S.
What is the molecular weight of 5-{[(4-Methylbenzyl)sulfonyl]methyl}-2-furoic acid?
The molecular weight of 5-{[(4-Methylbenzyl)sulfonyl]methyl}-2-furoic acid is 294.06 g/mol.
Where can I buy 5-{[(4-Methylbenzyl)sulfonyl]methyl}-2-furoic acid?
You can request a quote for 5-{[(4-Methylbenzyl)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-{[(4-Methylbenzyl)sulfonyl]methyl}-2-furoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-{[(4-Methylbenzyl)sulfonyl]methyl}-2-furoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.