Endothall
TL;DR: Endothall (CAS 28874-46-6) is a chemical compound with molecular formula C8H10O5 and molecular weight 186.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2R,3S,4R)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
Also Known As: endothall, Endothal, Hydrothol, Aquathol, Aquothol
| Molecular Formula | C8H10O5 |
|---|---|
| Molecular Weight | 186.05 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 186.05283 |
| Heavy Atoms | 13 |
| Complexity | 235.0 |
| Melting Point | Converted to anhydride at 90 °C |
| Density | 1.431 |
| Solubility | In water, 1.0X10+5 mg/L at 20 °C |
| Vapor Pressure | 1.57X10-10 mm Hg at 24 °C |
Chemical Identifiers
| CAS Number | 28874-46-6 |
|---|---|
| SMILES | C1C[C@H]2[C@@H]([C@@H]([C@@H]1O2)C(=O)O)C(=O)O |
| InChIKey | GXEKYRXVRROBEV-FBXFSONDSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Endothall (CAS 28874-46-6), with molecular formula C8H10O5 and molecular weight 186.05 g/mol. IUPAC: (1S,2R,3S,4R)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid.
Chemical Property Profile of Endothall
Property Insights of Endothall
The XLogP value of -0.5 indicates that Endothall is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Endothall. Following Lipinski's Rule of Five, Endothall has 2 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 Endothall?
The CAS number of Endothall is 28874-46-6.
What is the molecular formula of Endothall?
The molecular formula of Endothall is C8H10O5.
What is the molecular weight of Endothall?
The molecular weight of Endothall is 186.05 g/mol.
Where can I buy Endothall?
You can request a quote for Endothall directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Endothall?
Yes, KEHONG BIO provides custom synthesis services for Endothall and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.