Pentanoic acid, 4-oxo-, calcium salt
TL;DR: Pentanoic acid, 4-oxo-, calcium salt (CAS 591-64-0) is a chemical compound with molecular formula C10H14CaO6 and molecular weight 270.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium bis(4-oxopentanoate)
Also Known As: CALCIUM LEVULINATE, Laevucalcin, Calcium 4-oxopentanoate, Flanthin, Levucal
| Molecular Formula | C10H14CaO6 |
|---|---|
| Molecular Weight | 270.04 g/mol |
| LogP | -2.17 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 270.04163 |
| Heavy Atoms | 17 |
| Complexity | 101.0 |
Chemical Identifiers
| CAS Number | 591-64-0 |
|---|---|
| SMILES | CC(=O)CCC(=O)[O-].CC(=O)CCC(=O)[O-].[Ca+2] |
| InChIKey | APKDPOQXVKRLEP-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentanoic acid, 4-oxo-, calcium salt (CAS 591-64-0), with molecular formula C10H14CaO6 and molecular weight 270.04 g/mol. IUPAC: calcium bis(4-oxopentanoate).
Chemical Property Profile of Pentanoic acid, 4-oxo-, calcium salt
Property Insights of Pentanoic acid, 4-oxo-, calcium salt
The XLogP value of -2.17 indicates that Pentanoic acid, 4-oxo-, calcium salt is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pentanoic acid, 4-oxo-, calcium salt. Following Lipinski's Rule of Five, Pentanoic acid, 4-oxo-, calcium salt 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 Pentanoic acid, 4-oxo-, calcium salt?
The CAS number of Pentanoic acid, 4-oxo-, calcium salt is 591-64-0.
What is the molecular formula of Pentanoic acid, 4-oxo-, calcium salt?
The molecular formula of Pentanoic acid, 4-oxo-, calcium salt is C10H14CaO6.
What is the molecular weight of Pentanoic acid, 4-oxo-, calcium salt?
The molecular weight of Pentanoic acid, 4-oxo-, calcium salt is 270.04 g/mol.
Where can I buy Pentanoic acid, 4-oxo-, calcium salt?
You can request a quote for Pentanoic acid, 4-oxo-, calcium salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentanoic acid, 4-oxo-, calcium salt?
Yes, KEHONG BIO provides custom synthesis services for Pentanoic acid, 4-oxo-, calcium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.