5-(4-Chlorophenyl)-2-methylfuran-3-carboxylic acid
TL;DR: 5-(4-Chlorophenyl)-2-methylfuran-3-carboxylic acid (CAS 111787-89-4) is a chemical compound with molecular formula C12H9ClO3 and molecular weight 236.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-chlorophenyl)-2-methylfuran-3-carboxylic acid
Also Known As: 5-(4-chlorophenyl)-2-methyl-3-furoic acid, 5-(4-chlorophenyl)-2-methylfuran-3-carboxylic acid, Maybridge1_008585, 5-(4-chlorophenyl)-2-methyl-3-furancarboxylic acid, 2-methyl-5-(4-chlorophenyl)-furan-3-carboxylic acid
| Molecular Formula | C12H9ClO3 |
|---|---|
| Molecular Weight | 236.02 g/mol |
| LogP | 3.60662 |
| Topological Polar Surface Area | 50.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.02402 |
| Heavy Atoms | 16 |
| Complexity | 525.69696 |
Chemical Identifiers
| CAS Number | 111787-89-4 |
|---|---|
| SMILES | CC1=C(C=C(O1)C2=CC=C(C=C2)Cl)C(=O)O |
Product Overview
5-(4-Chlorophenyl)-2-methylfuran-3-carboxylic acid (CAS 111787-89-4), with molecular formula C12H9ClO3 and molecular weight 236.02 g/mol. IUPAC: 5-(4-chlorophenyl)-2-methylfuran-3-carboxylic acid.
Chemical Property Profile of 5-(4-Chlorophenyl)-2-methylfuran-3-carboxylic acid
Property Insights of 5-(4-Chlorophenyl)-2-methylfuran-3-carboxylic acid
The XLogP value of 3.60662 indicates that 5-(4-Chlorophenyl)-2-methylfuran-3-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)-2-methylfuran-3-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-Chlorophenyl)-2-methylfuran-3-carboxylic acid has 1 hydrogen bond donor(s) and 2 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)-2-methylfuran-3-carboxylic acid?
The CAS number of 5-(4-Chlorophenyl)-2-methylfuran-3-carboxylic acid is 111787-89-4.
What is the molecular formula of 5-(4-Chlorophenyl)-2-methylfuran-3-carboxylic acid?
The molecular formula of 5-(4-Chlorophenyl)-2-methylfuran-3-carboxylic acid is C12H9ClO3.
What is the molecular weight of 5-(4-Chlorophenyl)-2-methylfuran-3-carboxylic acid?
The molecular weight of 5-(4-Chlorophenyl)-2-methylfuran-3-carboxylic acid is 236.02 g/mol.
Where can I buy 5-(4-Chlorophenyl)-2-methylfuran-3-carboxylic acid?
You can request a quote for 5-(4-Chlorophenyl)-2-methylfuran-3-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)-2-methylfuran-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Chlorophenyl)-2-methylfuran-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.