2-羧基-2,5-二氢-5-氧代呋喃-2-乙酸酯
TL;DR: 2-羧基-2,5-二氢-5-氧代呋喃-2-乙酸酯 (CAS 13249-46-2) is a chemical compound with molecular formula C7H6O6 and molecular weight 186.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-羧基-2,5-二氢-5-氧代呋喃-2-乙酸酯
2-(carboxymethyl)-5-oxofuran-2-carboxylic acid
Also Known As: 4-carboxymuconolactone, Carboxymuconolactone, gamma-carboxymuconolactone, 2-Furanacetic acid, 2-carboxy-2,5-dihydro-5-oxo-, 2-carboxy-2,5-dihydro-5-oxofuran-2-acetate
| Molecular Formula | C7H6O6 |
|---|---|
| Molecular Weight | 186.02 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 186.01643 |
| Heavy Atoms | 13 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 13249-46-2 |
|---|---|
| SMILES | C1=CC(OC1=O)(CC(=O)O)C(=O)O |
| InChIKey | DHCUIDTZCMREHG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-羧基-2,5-二氢-5-氧代呋喃-2-乙酸酯 (CAS 13249-46-2), with molecular formula C7H6O6 and molecular weight 186.02 g/mol. IUPAC: 2-(carboxymethyl)-5-oxofuran-2-carboxylic acid.
Chemical Property Profile of 2-羧基-2,5-二氢-5-氧代呋喃-2-乙酸酯
Property Insights of 2-羧基-2,5-二氢-5-氧代呋喃-2-乙酸酯
The XLogP value of -0.7 indicates that 2-羧基-2,5-二氢-5-氧代呋喃-2-乙酸酯 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-羧基-2,5-二氢-5-氧代呋喃-2-乙酸酯. Following Lipinski's Rule of Five, 2-羧基-2,5-二氢-5-氧代呋喃-2-乙酸酯 has 2 hydrogen bond donor(s) and 6 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 2-羧基-2,5-二氢-5-氧代呋喃-2-乙酸酯?
The CAS number of 2-羧基-2,5-二氢-5-氧代呋喃-2-乙酸酯 is 13249-46-2.
What is the molecular formula of 2-羧基-2,5-二氢-5-氧代呋喃-2-乙酸酯?
The molecular formula of 2-羧基-2,5-二氢-5-氧代呋喃-2-乙酸酯 is C7H6O6.
What is the molecular weight of 2-羧基-2,5-二氢-5-氧代呋喃-2-乙酸酯?
The molecular weight of 2-羧基-2,5-二氢-5-氧代呋喃-2-乙酸酯 is 186.02 g/mol.
Where can I buy 2-羧基-2,5-二氢-5-氧代呋喃-2-乙酸酯?
You can request a quote for 2-羧基-2,5-二氢-5-氧代呋喃-2-乙酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-羧基-2,5-二氢-5-氧代呋喃-2-乙酸酯?
Yes, KEHONG BIO provides custom synthesis services for 2-羧基-2,5-二氢-5-氧代呋喃-2-乙酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.