5-((4-Chloro-3-methylphenoxy)methyl)-2-furancarboxylic acid
TL;DR: 5-((4-Chloro-3-methylphenoxy)methyl)-2-furancarboxylic acid (CAS 406470-55-1) is a chemical compound with molecular formula C13H11ClO4 and molecular weight 266.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carboxylic acid
Also Known As: BTBMW, 5-[(4-Chloro-3-methylphenoxy)methyl]-2-furoic acid, 5-((4-Chloro-3-methylphenoxy)methyl)furan-2-carboxylic acid, 5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carboxylic acid, 5-(4-chloro-3-methylphenoxymethyl)furan-2-carboxylic acid
| Molecular Formula | C13H11ClO4 |
|---|---|
| Molecular Weight | 266.03 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 59.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 266.03458 |
| Heavy Atoms | 18 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 406470-55-1 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)OCC2=CC=C(O2)C(=O)O)Cl |
| InChIKey | QTABSYVYXVDOQN-UHFFFAOYSA-N |
Product Overview
5-((4-Chloro-3-methylphenoxy)methyl)-2-furancarboxylic acid (CAS 406470-55-1), with molecular formula C13H11ClO4 and molecular weight 266.03 g/mol. IUPAC: 5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carboxylic acid.
Chemical Property Profile of 5-((4-Chloro-3-methylphenoxy)methyl)-2-furancarboxylic acid
Property Insights of 5-((4-Chloro-3-methylphenoxy)methyl)-2-furancarboxylic acid
The XLogP value of 3.3 indicates that 5-((4-Chloro-3-methylphenoxy)methyl)-2-furancarboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.7 Ų, 5-((4-Chloro-3-methylphenoxy)methyl)-2-furancarboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-((4-Chloro-3-methylphenoxy)methyl)-2-furancarboxylic acid has 1 hydrogen bond donor(s) and 4 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-Chloro-3-methylphenoxy)methyl)-2-furancarboxylic acid?
The CAS number of 5-((4-Chloro-3-methylphenoxy)methyl)-2-furancarboxylic acid is 406470-55-1.
What is the molecular formula of 5-((4-Chloro-3-methylphenoxy)methyl)-2-furancarboxylic acid?
The molecular formula of 5-((4-Chloro-3-methylphenoxy)methyl)-2-furancarboxylic acid is C13H11ClO4.
What is the molecular weight of 5-((4-Chloro-3-methylphenoxy)methyl)-2-furancarboxylic acid?
The molecular weight of 5-((4-Chloro-3-methylphenoxy)methyl)-2-furancarboxylic acid is 266.03 g/mol.
Where can I buy 5-((4-Chloro-3-methylphenoxy)methyl)-2-furancarboxylic acid?
You can request a quote for 5-((4-Chloro-3-methylphenoxy)methyl)-2-furancarboxylic 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-Chloro-3-methylphenoxy)methyl)-2-furancarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-((4-Chloro-3-methylphenoxy)methyl)-2-furancarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.