Chelidonate
TL;DR: Chelidonate (CAS 6003-94-7) is a chemical compound with molecular formula C7H2O6-2 and molecular weight 181.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxopyran-2,6-dicarboxylate
Also Known As: chelidonate, Chelidonic acid, Jervasic acid, Jerva acid, Chelidonic acid monohydrate
| Molecular Formula | C7H2O6-2 |
|---|---|
| Molecular Weight | 181.99 g/mol |
| LogP | -2.6332 |
| Topological Polar Surface Area | 110.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 181.98514 |
| Heavy Atoms | 13 |
| Complexity | 379.98608 |
Chemical Identifiers
| CAS Number | 6003-94-7 |
|---|---|
| SMILES | C1=C(OC(=CC1=O)C(=O)[O-])C(=O)[O-] |
Product Overview
Chelidonate (CAS 6003-94-7), with molecular formula C7H2O6-2 and molecular weight 181.99 g/mol. IUPAC: 4-oxopyran-2,6-dicarboxylate.
Chemical Property Profile of Chelidonate
Property Insights of Chelidonate
The XLogP value of -2.6332 indicates that Chelidonate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 110.47 Ų falls within the moderate polarity range, balancing permeability and solubility for Chelidonate. Following Lipinski's Rule of Five, Chelidonate has 0 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 Chelidonate?
The CAS number of Chelidonate is 6003-94-7.
What is the molecular formula of Chelidonate?
The molecular formula of Chelidonate is C7H2O6-2.
What is the molecular weight of Chelidonate?
The molecular weight of Chelidonate is 181.99 g/mol.
Where can I buy Chelidonate?
You can request a quote for Chelidonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chelidonate?
Yes, KEHONG BIO provides custom synthesis services for Chelidonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.