3-Hydroxy-5-oxooxepane-2,3-dicarboxylic acid
TL;DR: 3-Hydroxy-5-oxooxepane-2,3-dicarboxylic acid (CAS 720676-72-2) is a chemical compound with molecular formula C8H10O7 and molecular weight 218.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-5-oxooxepane-2,3-dicarboxylic acid
Also Known As: 3-hydroxy-5-oxooxepane-2,3-dicarboxylic acid, 3-hydroxy-5-oxo-oxepane-2,3-dicarboxylic Acid
| Molecular Formula | C8H10O7 |
|---|---|
| Molecular Weight | 218.04 g/mol |
| LogP | -1.3652 |
| Topological Polar Surface Area | 121.13 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.04265 |
| Heavy Atoms | 15 |
| Complexity | 310.11206 |
Chemical Identifiers
| CAS Number | 720676-72-2 |
|---|---|
| SMILES | C1COC(C(CC1=O)(C(=O)O)O)C(=O)O |
Product Overview
3-Hydroxy-5-oxooxepane-2,3-dicarboxylic acid (CAS 720676-72-2), with molecular formula C8H10O7 and molecular weight 218.04 g/mol. IUPAC: 3-hydroxy-5-oxooxepane-2,3-dicarboxylic acid.
Chemical Property Profile of 3-Hydroxy-5-oxooxepane-2,3-dicarboxylic acid
Property Insights of 3-Hydroxy-5-oxooxepane-2,3-dicarboxylic acid
The XLogP value of -1.3652 indicates that 3-Hydroxy-5-oxooxepane-2,3-dicarboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 121.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Hydroxy-5-oxooxepane-2,3-dicarboxylic acid. Following Lipinski's Rule of Five, 3-Hydroxy-5-oxooxepane-2,3-dicarboxylic acid has 3 hydrogen bond donor(s) and 5 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-Hydroxy-5-oxooxepane-2,3-dicarboxylic acid?
The CAS number of 3-Hydroxy-5-oxooxepane-2,3-dicarboxylic acid is 720676-72-2.
What is the molecular formula of 3-Hydroxy-5-oxooxepane-2,3-dicarboxylic acid?
The molecular formula of 3-Hydroxy-5-oxooxepane-2,3-dicarboxylic acid is C8H10O7.
What is the molecular weight of 3-Hydroxy-5-oxooxepane-2,3-dicarboxylic acid?
The molecular weight of 3-Hydroxy-5-oxooxepane-2,3-dicarboxylic acid is 218.04 g/mol.
Where can I buy 3-Hydroxy-5-oxooxepane-2,3-dicarboxylic acid?
You can request a quote for 3-Hydroxy-5-oxooxepane-2,3-dicarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxy-5-oxooxepane-2,3-dicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-5-oxooxepane-2,3-dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.