Calcium phthalate
TL;DR: Calcium phthalate (CAS 5793-85-1) is a chemical compound with molecular formula C8H4CaO4 and molecular weight 203.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium phthalate
Also Known As: Calcium phthalate, calcium;phthalate, calcium phthalate hydrate, Calciumphthalatehydrate, Phthalic Acid Calcium Salt
| Molecular Formula | C8H4CaO4 |
|---|---|
| Molecular Weight | 203.97 g/mol |
| LogP | -1.97 |
| Topological Polar Surface Area | 80.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 203.97356 |
| Heavy Atoms | 13 |
| Complexity | 166.0 |
Chemical Identifiers
| CAS Number | 5793-85-1 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)[O-])C(=O)[O-].[Ca+2] |
| InChIKey | PYSZASIZWHHPHJ-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Calcium phthalate (CAS 5793-85-1), with molecular formula C8H4CaO4 and molecular weight 203.97 g/mol. IUPAC: calcium phthalate.
Chemical Property Profile of Calcium phthalate
Property Insights of Calcium phthalate
The XLogP value of -1.97 indicates that Calcium phthalate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 80.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Calcium phthalate. Following Lipinski's Rule of Five, Calcium phthalate has 0 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 Calcium phthalate?
The CAS number of Calcium phthalate is 5793-85-1.
What is the molecular formula of Calcium phthalate?
The molecular formula of Calcium phthalate is C8H4CaO4.
What is the molecular weight of Calcium phthalate?
The molecular weight of Calcium phthalate is 203.97 g/mol.
Where can I buy Calcium phthalate?
You can request a quote for Calcium phthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calcium phthalate?
Yes, KEHONG BIO provides custom synthesis services for Calcium phthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.