3-氧己二酸烯醇内酯
TL;DR: 3-氧己二酸烯醇内酯 (CAS 1124-49-8) is a chemical compound with molecular formula C6H6O4 and molecular weight 142.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-氧己二酸烯醇内酯
2-(2-oxo-3H-furan-5-yl)acetic acid
Also Known As: 3-Oxoadipate enol-lactone, 5-oxo-4,5-dihydro-2-furylacetic acid, 2-oxo-2,3-dihydrofuran-5-acetate, 4,5-dihydro-5-oxofuran-2-acetate, 5-oxo-4,5-dihydrofuran-2-acetate
| Molecular Formula | C6H6O4 |
|---|---|
| Molecular Weight | 142.03 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 142.02661 |
| Heavy Atoms | 10 |
| Complexity | 204.0 |
Chemical Identifiers
| CAS Number | 1124-49-8 |
|---|---|
| SMILES | C1C=C(OC1=O)CC(=O)O |
| InChIKey | ZPEHSARSWGDCEX-UHFFFAOYSA-N |
Product Overview
3-氧己二酸烯醇内酯 (CAS 1124-49-8), with molecular formula C6H6O4 and molecular weight 142.03 g/mol. IUPAC: 2-(2-oxo-3H-furan-5-yl)acetic acid.
Chemical Property Profile of 3-氧己二酸烯醇内酯
Property Insights of 3-氧己二酸烯醇内酯
The XLogP value of -0.3 indicates that 3-氧己二酸烯醇内酯 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-氧己二酸烯醇内酯. Following Lipinski's Rule of Five, 3-氧己二酸烯醇内酯 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-氧己二酸烯醇内酯?
The CAS number of 3-氧己二酸烯醇内酯 is 1124-49-8.
What is the molecular formula of 3-氧己二酸烯醇内酯?
The molecular formula of 3-氧己二酸烯醇内酯 is C6H6O4.
What is the molecular weight of 3-氧己二酸烯醇内酯?
The molecular weight of 3-氧己二酸烯醇内酯 is 142.03 g/mol.
Where can I buy 3-氧己二酸烯醇内酯?
You can request a quote for 3-氧己二酸烯醇内酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-氧己二酸烯醇内酯?
Yes, KEHONG BIO provides custom synthesis services for 3-氧己二酸烯醇内酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.