![5-{[(2-Chlorobenzyl)thio]methyl}-2-furoic acid structure](/static/products/885/88511-25-5.png)
5-{[(2-Chlorobenzyl)thio]methyl}-2-furoic acid
TL;DR: 5-{[(2-Chlorobenzyl)thio]methyl}-2-furoic acid (CAS 88511-25-5) is a chemical compound with molecular formula C13H11ClO3S and molecular weight 282.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2-chlorophenyl)methylsulfanylmethyl]furan-2-carboxylic acid
Also Known As: 5-{[(2-chlorobenzyl)thio]methyl}-2-furoic acid, 6-Iodo-pyridin-2-ylamine, 5-([(2-Chlorobenzyl)thio]methyl)-2-furoic acid, 5-[(2-chlorophenyl)methylsulfanylmethyl]furan-2-carboxylic Acid, 5-(((2-Chlorobenzyl)thio)methyl)furan-2-carboxylic acid
| Molecular Formula | C13H11ClO3S |
|---|---|
| Molecular Weight | 282.01 g/mol |
| LogP | 4.0646 |
| Topological Polar Surface Area | 50.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 282.01175 |
| Heavy Atoms | 18 |
| Complexity | 550.6743 |
Chemical Identifiers
| CAS Number | 88511-25-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CSCC2=CC=C(O2)C(=O)O)Cl |
Product Overview
5-{[(2-Chlorobenzyl)thio]methyl}-2-furoic acid (CAS 88511-25-5), with molecular formula C13H11ClO3S and molecular weight 282.01 g/mol. IUPAC: 5-[(2-chlorophenyl)methylsulfanylmethyl]furan-2-carboxylic acid.
Chemical Property Profile of 5-{[(2-Chlorobenzyl)thio]methyl}-2-furoic acid
Property Insights of 5-{[(2-Chlorobenzyl)thio]methyl}-2-furoic acid
The XLogP value of 4.0646 indicates that 5-{[(2-Chlorobenzyl)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-{[(2-Chlorobenzyl)thio]methyl}-2-furoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-{[(2-Chlorobenzyl)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-{[(2-Chlorobenzyl)thio]methyl}-2-furoic acid?
The CAS number of 5-{[(2-Chlorobenzyl)thio]methyl}-2-furoic acid is 88511-25-5.
What is the molecular formula of 5-{[(2-Chlorobenzyl)thio]methyl}-2-furoic acid?
The molecular formula of 5-{[(2-Chlorobenzyl)thio]methyl}-2-furoic acid is C13H11ClO3S.
What is the molecular weight of 5-{[(2-Chlorobenzyl)thio]methyl}-2-furoic acid?
The molecular weight of 5-{[(2-Chlorobenzyl)thio]methyl}-2-furoic acid is 282.01 g/mol.
Where can I buy 5-{[(2-Chlorobenzyl)thio]methyl}-2-furoic acid?
You can request a quote for 5-{[(2-Chlorobenzyl)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-{[(2-Chlorobenzyl)thio]methyl}-2-furoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-{[(2-Chlorobenzyl)thio]methyl}-2-furoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.