3-Methyl-5-(phenoxymethyl)furan-2-carboxylic acid
TL;DR: 3-Methyl-5-(phenoxymethyl)furan-2-carboxylic acid (CAS 303064-47-3) is a chemical compound with molecular formula C13H12O4 and molecular weight 232.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-5-(phenoxymethyl)furan-2-carboxylic acid
Also Known As: 3-METHYL-5-(PHENOXYMETHYL)-2-FUROIC ACID, 3-methyl-5-(phenoxymethyl)furan-2-carboxylic acid, CHEMBRDG-BB6559723, CHEMBRDG-BB 6559723, 2-furancarboxylic acid, 3-methyl-5-(phenoxymethyl)-
| Molecular Formula | C13H12O4 |
|---|---|
| Molecular Weight | 232.07 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 59.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 232.07356 |
| Heavy Atoms | 17 |
| Complexity | 260.0 |
Chemical Identifiers
| CAS Number | 303064-47-3 |
|---|---|
| SMILES | CC1=C(OC(=C1)COC2=CC=CC=C2)C(=O)O |
| InChIKey | AJUGKZCPMRYOAV-UHFFFAOYSA-N |
Product Overview
3-Methyl-5-(phenoxymethyl)furan-2-carboxylic acid (CAS 303064-47-3), with molecular formula C13H12O4 and molecular weight 232.07 g/mol. IUPAC: 3-methyl-5-(phenoxymethyl)furan-2-carboxylic acid.
Chemical Property Profile of 3-Methyl-5-(phenoxymethyl)furan-2-carboxylic acid
Property Insights of 3-Methyl-5-(phenoxymethyl)furan-2-carboxylic acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-5-(phenoxymethyl)furan-2-carboxylic acid. With a topological polar surface area (TPSA) of 59.7 Ų, 3-Methyl-5-(phenoxymethyl)furan-2-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-5-(phenoxymethyl)furan-2-carboxylic 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 3-Methyl-5-(phenoxymethyl)furan-2-carboxylic acid?
The CAS number of 3-Methyl-5-(phenoxymethyl)furan-2-carboxylic acid is 303064-47-3.
What is the molecular formula of 3-Methyl-5-(phenoxymethyl)furan-2-carboxylic acid?
The molecular formula of 3-Methyl-5-(phenoxymethyl)furan-2-carboxylic acid is C13H12O4.
What is the molecular weight of 3-Methyl-5-(phenoxymethyl)furan-2-carboxylic acid?
The molecular weight of 3-Methyl-5-(phenoxymethyl)furan-2-carboxylic acid is 232.07 g/mol.
Where can I buy 3-Methyl-5-(phenoxymethyl)furan-2-carboxylic acid?
You can request a quote for 3-Methyl-5-(phenoxymethyl)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 3-Methyl-5-(phenoxymethyl)furan-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-5-(phenoxymethyl)furan-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.