4-(Bromomethyl)-2-oxo-2,5-dihydrofuran-3-carboxylic acid
TL;DR: 4-(Bromomethyl)-2-oxo-2,5-dihydrofuran-3-carboxylic acid (CAS 138662-99-4) is a chemical compound with molecular formula C6H5BrO4 and molecular weight 219.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(bromomethyl)-5-oxo-2H-furan-4-carboxylic acid
Also Known As: 4-(bromomethyl)-2-oxo-2,5-dihydrofuran-3-carboxylic acid, 3-(bromomethyl)-5-oxo-2H-furan-4-carboxylic acid, 3-Furancarboxylic acid,4-(bromomethyl)-2,5-dihydro-2-oxo-
| Molecular Formula | C6H5BrO4 |
|---|---|
| Molecular Weight | 219.94 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 219.93712 |
| Heavy Atoms | 11 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 138662-99-4 |
|---|---|
| SMILES | C1C(=C(C(=O)O1)C(=O)O)CBr |
| InChIKey | YEBOVIOLUAZTJJ-UHFFFAOYSA-N |
Product Overview
4-(Bromomethyl)-2-oxo-2,5-dihydrofuran-3-carboxylic acid (CAS 138662-99-4), with molecular formula C6H5BrO4 and molecular weight 219.94 g/mol. IUPAC: 3-(bromomethyl)-5-oxo-2H-furan-4-carboxylic acid.
Chemical Property Profile of 4-(Bromomethyl)-2-oxo-2,5-dihydrofuran-3-carboxylic acid
Property Insights of 4-(Bromomethyl)-2-oxo-2,5-dihydrofuran-3-carboxylic acid
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Bromomethyl)-2-oxo-2,5-dihydrofuran-3-carboxylic acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Bromomethyl)-2-oxo-2,5-dihydrofuran-3-carboxylic acid. Following Lipinski's Rule of Five, 4-(Bromomethyl)-2-oxo-2,5-dihydrofuran-3-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 4-(Bromomethyl)-2-oxo-2,5-dihydrofuran-3-carboxylic acid?
The CAS number of 4-(Bromomethyl)-2-oxo-2,5-dihydrofuran-3-carboxylic acid is 138662-99-4.
What is the molecular formula of 4-(Bromomethyl)-2-oxo-2,5-dihydrofuran-3-carboxylic acid?
The molecular formula of 4-(Bromomethyl)-2-oxo-2,5-dihydrofuran-3-carboxylic acid is C6H5BrO4.
What is the molecular weight of 4-(Bromomethyl)-2-oxo-2,5-dihydrofuran-3-carboxylic acid?
The molecular weight of 4-(Bromomethyl)-2-oxo-2,5-dihydrofuran-3-carboxylic acid is 219.94 g/mol.
Where can I buy 4-(Bromomethyl)-2-oxo-2,5-dihydrofuran-3-carboxylic acid?
You can request a quote for 4-(Bromomethyl)-2-oxo-2,5-dihydrofuran-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 4-(Bromomethyl)-2-oxo-2,5-dihydrofuran-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(Bromomethyl)-2-oxo-2,5-dihydrofuran-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.