![5-[4-(Methylsulfanyl)phenyl]-2-furoic acid structure](/static/products/893/893734-62-8.png)
5-[4-(Methylsulfanyl)phenyl]-2-furoic acid
TL;DR: 5-[4-(Methylsulfanyl)phenyl]-2-furoic acid (CAS 893734-62-8) is a chemical compound with molecular formula C12H10O3S and molecular weight 234.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-methylsulfanylphenyl)furan-2-carboxylic acid
Also Known As: 5-[4-(Methylsulfanyl)phenyl]-2-furoic acid, BB 0223014, 5-(4-methylsulfanylphenyl)furan-2-carboxylic Acid, 5-(4-(Methylthio)phenyl)furan-2-carboxylic acid
| Molecular Formula | C12H10O3S |
|---|---|
| Molecular Weight | 234.04 g/mol |
| LogP | 3.3667 |
| Topological Polar Surface Area | 50.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 234.03506 |
| Heavy Atoms | 16 |
| Complexity | 499.23737 |
Chemical Identifiers
| CAS Number | 893734-62-8 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)C2=CC=C(O2)C(=O)O |
Product Overview
5-[4-(Methylsulfanyl)phenyl]-2-furoic acid (CAS 893734-62-8), with molecular formula C12H10O3S and molecular weight 234.04 g/mol. IUPAC: 5-(4-methylsulfanylphenyl)furan-2-carboxylic acid.
Chemical Property Profile of 5-[4-(Methylsulfanyl)phenyl]-2-furoic acid
Property Insights of 5-[4-(Methylsulfanyl)phenyl]-2-furoic acid
The XLogP value of 3.3667 indicates that 5-[4-(Methylsulfanyl)phenyl]-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-[4-(Methylsulfanyl)phenyl]-2-furoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-[4-(Methylsulfanyl)phenyl]-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-[4-(Methylsulfanyl)phenyl]-2-furoic acid?
The CAS number of 5-[4-(Methylsulfanyl)phenyl]-2-furoic acid is 893734-62-8.
What is the molecular formula of 5-[4-(Methylsulfanyl)phenyl]-2-furoic acid?
The molecular formula of 5-[4-(Methylsulfanyl)phenyl]-2-furoic acid is C12H10O3S.
What is the molecular weight of 5-[4-(Methylsulfanyl)phenyl]-2-furoic acid?
The molecular weight of 5-[4-(Methylsulfanyl)phenyl]-2-furoic acid is 234.04 g/mol.
Where can I buy 5-[4-(Methylsulfanyl)phenyl]-2-furoic acid?
You can request a quote for 5-[4-(Methylsulfanyl)phenyl]-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-(Methylsulfanyl)phenyl]-2-furoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-[4-(Methylsulfanyl)phenyl]-2-furoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.