5-Methylfuran-2-carboxylate
TL;DR: 5-Methylfuran-2-carboxylate (CAS 879650-58-5) is a chemical compound with molecular formula C6H5O3- and molecular weight 125.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methylfuran-2-carboxylate
Also Known As: 5-methylfuran-2-carboxylate
| Molecular Formula | C6H5O3- |
|---|---|
| Molecular Weight | 125.02 g/mol |
| LogP | -0.04848 |
| Topological Polar Surface Area | 53.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 125.02387 |
| Heavy Atoms | 9 |
| Complexity | 223.96178 |
Chemical Identifiers
| CAS Number | 879650-58-5 |
|---|---|
| SMILES | CC1=CC=C(O1)C(=O)[O-] |
Product Overview
5-Methylfuran-2-carboxylate (CAS 879650-58-5), with molecular formula C6H5O3- and molecular weight 125.02 g/mol. IUPAC: 5-methylfuran-2-carboxylate.
Chemical Property Profile of 5-Methylfuran-2-carboxylate
Property Insights of 5-Methylfuran-2-carboxylate
The XLogP value of -0.04848 indicates that 5-Methylfuran-2-carboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 53.27 Ų, 5-Methylfuran-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methylfuran-2-carboxylate has 0 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-Methylfuran-2-carboxylate?
The CAS number of 5-Methylfuran-2-carboxylate is 879650-58-5.
What is the molecular formula of 5-Methylfuran-2-carboxylate?
The molecular formula of 5-Methylfuran-2-carboxylate is C6H5O3-.
What is the molecular weight of 5-Methylfuran-2-carboxylate?
The molecular weight of 5-Methylfuran-2-carboxylate is 125.02 g/mol.
Where can I buy 5-Methylfuran-2-carboxylate?
You can request a quote for 5-Methylfuran-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methylfuran-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 5-Methylfuran-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.