![5-{[(3-Methylbenzyl)thio]methyl}-2-furoic acid structure](/static/products/6966/696647-99-1.webp)
5-{[(3-Methylbenzyl)thio]methyl}-2-furoic acid
TL;DR: 5-{[(3-Methylbenzyl)thio]methyl}-2-furoic acid (CAS 696647-99-1) is a chemical compound with molecular formula C14H14O3S and molecular weight 262.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(3-methylphenyl)methylsulfanylmethyl]furan-2-carboxylic acid
Also Known As: 5-{[(3-methylbenzyl)thio]methyl}-2-furoic acid, 5-([(3-Methylbenzyl)thio]methyl)-2-furoic acid, 5-(((3-Methylbenzyl)thio)methyl)furan-2-carboxylic acid, 5-[(3-methylphenyl)methylsulfanylmethyl]furan-2-carboxylic Acid, 5-{(3-Methylbenzyl)thiomethyl}-2-furoic Acid
| Molecular Formula | C14H14O3S |
|---|---|
| Molecular Weight | 262.07 g/mol |
| LogP | 3.71962 |
| Topological Polar Surface Area | 50.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 262.06638 |
| Heavy Atoms | 18 |
| Complexity | 545.47705 |
Chemical Identifiers
| CAS Number | 696647-99-1 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CSCC2=CC=C(O2)C(=O)O |
Product Overview
5-{[(3-Methylbenzyl)thio]methyl}-2-furoic acid (CAS 696647-99-1), with molecular formula C14H14O3S and molecular weight 262.07 g/mol. IUPAC: 5-[(3-methylphenyl)methylsulfanylmethyl]furan-2-carboxylic acid.
Chemical Property Profile of 5-{[(3-Methylbenzyl)thio]methyl}-2-furoic acid
Property Insights of 5-{[(3-Methylbenzyl)thio]methyl}-2-furoic acid
The XLogP value of 3.71962 indicates that 5-{[(3-Methylbenzyl)thio]methyl}-2-furoic 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, 5-{[(3-Methylbenzyl)thio]methyl}-2-furoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-{[(3-Methylbenzyl)thio]methyl}-2-furoic 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 5-{[(3-Methylbenzyl)thio]methyl}-2-furoic acid?
The CAS number of 5-{[(3-Methylbenzyl)thio]methyl}-2-furoic acid is 696647-99-1.
What is the molecular formula of 5-{[(3-Methylbenzyl)thio]methyl}-2-furoic acid?
The molecular formula of 5-{[(3-Methylbenzyl)thio]methyl}-2-furoic acid is C14H14O3S.
What is the molecular weight of 5-{[(3-Methylbenzyl)thio]methyl}-2-furoic acid?
The molecular weight of 5-{[(3-Methylbenzyl)thio]methyl}-2-furoic acid is 262.07 g/mol.
Where can I buy 5-{[(3-Methylbenzyl)thio]methyl}-2-furoic acid?
You can request a quote for 5-{[(3-Methylbenzyl)thio]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-{[(3-Methylbenzyl)thio]methyl}-2-furoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-{[(3-Methylbenzyl)thio]methyl}-2-furoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.