Calcium monoethylfumarate
TL;DR: Calcium monoethylfumarate (CAS 62008-22-4) is a chemical compound with molecular formula C12H14CaO8 and molecular weight 326.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium bis((E)-4-ethoxy-4-oxobut-2-enoate)
Also Known As: calcium monoethylfumarate, Calcium diethyl difumarate, Fumaric acid monoethyl ester calcium salt, calcium monoethyl fumarate, ETHYL FUMARATE CALCIUM
| Molecular Formula | C12H14CaO8 |
|---|---|
| Molecular Weight | 326.03 g/mol |
| LogP | -2.6696 |
| Topological Polar Surface Area | 132.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 326.03146 |
| Heavy Atoms | 21 |
| Complexity | 362.0616 |
Chemical Identifiers
| CAS Number | 62008-22-4 |
|---|---|
| SMILES | CCOC(=O)/C=C/C(=O)[O-].CCOC(=O)/C=C/C(=O)[O-].[Ca+2] |
Product Overview
Calcium monoethylfumarate (CAS 62008-22-4), with molecular formula C12H14CaO8 and molecular weight 326.03 g/mol. IUPAC: calcium bis((E)-4-ethoxy-4-oxobut-2-enoate).
Chemical Property Profile of Calcium monoethylfumarate
Property Insights of Calcium monoethylfumarate
The XLogP value of -2.6696 indicates that Calcium monoethylfumarate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 132.86 Ų falls within the moderate polarity range, balancing permeability and solubility for Calcium monoethylfumarate. Following Lipinski's Rule of Five, Calcium monoethylfumarate has 0 hydrogen bond donor(s) and 8 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 monoethylfumarate?
The CAS number of Calcium monoethylfumarate is 62008-22-4.
What is the molecular formula of Calcium monoethylfumarate?
The molecular formula of Calcium monoethylfumarate is C12H14CaO8.
What is the molecular weight of Calcium monoethylfumarate?
The molecular weight of Calcium monoethylfumarate is 326.03 g/mol.
Where can I buy Calcium monoethylfumarate?
You can request a quote for Calcium monoethylfumarate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calcium monoethylfumarate?
Yes, KEHONG BIO provides custom synthesis services for Calcium monoethylfumarate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.