Calcium terephthalate
TL;DR: Calcium terephthalate (CAS 1648-62-0) 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 terephthalate
Also Known As: Calcium terephthalate, calcium;terephthalate, Calcium terephthalate(x:1), Cyan-acetylchlorid, Terephthalic acid calcium salt
| Molecular Formula | C8H4CaO4 |
|---|---|
| Molecular Weight | 203.97 g/mol |
| LogP | -1.9672 |
| 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 | 158.0 |
Chemical Identifiers
| CAS Number | 1648-62-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)[O-])C(=O)[O-].[Ca+2] |
| InChIKey | AAEHPKIXIIACPQ-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Calcium terephthalate (CAS 1648-62-0), with molecular formula C8H4CaO4 and molecular weight 203.97 g/mol. IUPAC: calcium terephthalate.
Chemical Property Profile of Calcium terephthalate
Property Insights of Calcium terephthalate
The XLogP value of -1.9672 indicates that Calcium terephthalate 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 terephthalate. Following Lipinski's Rule of Five, Calcium terephthalate 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 terephthalate?
The CAS number of Calcium terephthalate is 1648-62-0.
What is the molecular formula of Calcium terephthalate?
The molecular formula of Calcium terephthalate is C8H4CaO4.
What is the molecular weight of Calcium terephthalate?
The molecular weight of Calcium terephthalate is 203.97 g/mol.
Where can I buy Calcium terephthalate?
You can request a quote for Calcium terephthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calcium terephthalate?
Yes, KEHONG BIO provides custom synthesis services for Calcium terephthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.