5-(((4-Chlorophenyl)thio)methyl)furan-2-carboxylic acid
TL;DR: 5-(((4-Chlorophenyl)thio)methyl)furan-2-carboxylic acid (CAS 74556-53-9) is a chemical compound with molecular formula C12H9ClO3S and molecular weight 268.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-chlorophenyl)sulfanylmethyl]furan-2-carboxylic acid
Also Known As: Maybridge3_000999, IDI1_012386, 5-(((4-chlorophenyl)thio)methyl)furan-2-carboxylic acid, 5-{[(4-chlorophenyl)sulfanyl]methyl}furan-2-carboxylic acid, 5-[(4-chlorophenyl)sulfanylmethyl]furan-2-carboxylic acid
| Molecular Formula | C12H9ClO3S |
|---|---|
| Molecular Weight | 268.00 g/mol |
| LogP | 3.9235 |
| Topological Polar Surface Area | 50.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 267.9961 |
| Heavy Atoms | 17 |
| Complexity | 518.80194 |
Chemical Identifiers
| CAS Number | 74556-53-9 |
|---|---|
| SMILES | C1=CC(=CC=C1SCC2=CC=C(O2)C(=O)O)Cl |
Product Overview
5-(((4-Chlorophenyl)thio)methyl)furan-2-carboxylic acid (CAS 74556-53-9), with molecular formula C12H9ClO3S and molecular weight 268.00 g/mol. IUPAC: 5-[(4-chlorophenyl)sulfanylmethyl]furan-2-carboxylic acid.
Chemical Property Profile of 5-(((4-Chlorophenyl)thio)methyl)furan-2-carboxylic acid
Property Insights of 5-(((4-Chlorophenyl)thio)methyl)furan-2-carboxylic acid
The XLogP value of 3.9235 indicates that 5-(((4-Chlorophenyl)thio)methyl)furan-2-carboxylic 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-Chlorophenyl)thio)methyl)furan-2-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(((4-Chlorophenyl)thio)methyl)furan-2-carboxylic 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-Chlorophenyl)thio)methyl)furan-2-carboxylic acid?
The CAS number of 5-(((4-Chlorophenyl)thio)methyl)furan-2-carboxylic acid is 74556-53-9.
What is the molecular formula of 5-(((4-Chlorophenyl)thio)methyl)furan-2-carboxylic acid?
The molecular formula of 5-(((4-Chlorophenyl)thio)methyl)furan-2-carboxylic acid is C12H9ClO3S.
What is the molecular weight of 5-(((4-Chlorophenyl)thio)methyl)furan-2-carboxylic acid?
The molecular weight of 5-(((4-Chlorophenyl)thio)methyl)furan-2-carboxylic acid is 268.00 g/mol.
Where can I buy 5-(((4-Chlorophenyl)thio)methyl)furan-2-carboxylic acid?
You can request a quote for 5-(((4-Chlorophenyl)thio)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-Chlorophenyl)thio)methyl)furan-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(((4-Chlorophenyl)thio)methyl)furan-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.