Calcium but-2-enedioate
TL;DR: Calcium but-2-enedioate (CAS 7718-51-6) is a chemical compound with molecular formula C4H2CaO4 and molecular weight 153.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium but-2-enedioate
Also Known As: CALCIUM FUMARATE, calcium but-2-enedioate, Fumaric acid, calcium salt, Calcium 2-butenedioate, (E)-, 2-Butenedioic acid (E)-, calcium salt
| Molecular Formula | C4H2CaO4 |
|---|---|
| Molecular Weight | 153.96 g/mol |
| LogP | -3.34 |
| Topological Polar Surface Area | 80.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 153.9579 |
| Heavy Atoms | 9 |
| Complexity | 108.0 |
Chemical Identifiers
| CAS Number | 7718-51-6 |
|---|---|
| SMILES | C(=CC(=O)[O-])C(=O)[O-].[Ca+2] |
| InChIKey | HDRTWMBOUSPQON-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Calcium but-2-enedioate (CAS 7718-51-6), with molecular formula C4H2CaO4 and molecular weight 153.96 g/mol. IUPAC: calcium but-2-enedioate.
Chemical Property Profile of Calcium but-2-enedioate
Property Insights of Calcium but-2-enedioate
The XLogP value of -3.34 indicates that Calcium but-2-enedioate 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 but-2-enedioate. Following Lipinski's Rule of Five, Calcium but-2-enedioate 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 but-2-enedioate?
The CAS number of Calcium but-2-enedioate is 7718-51-6.
What is the molecular formula of Calcium but-2-enedioate?
The molecular formula of Calcium but-2-enedioate is C4H2CaO4.
What is the molecular weight of Calcium but-2-enedioate?
The molecular weight of Calcium but-2-enedioate is 153.96 g/mol.
Where can I buy Calcium but-2-enedioate?
You can request a quote for Calcium but-2-enedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calcium but-2-enedioate?
Yes, KEHONG BIO provides custom synthesis services for Calcium but-2-enedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.