Calcium Levulinate
TL;DR: Calcium Levulinate (CAS 5743-49-7) is a chemical compound with molecular formula C10H18CaO8 and molecular weight 306.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium;bis(4-oxopentanoate);dihydrate
Also Known As: Calcium levulinate dihydrate, CALCIUM LEVULINATE, calcium;4-oxopentanoate;dihydrate, Calcium levulinate (USP), Calcium Levulinate [USAN]
| Molecular Formula | C10H18CaO8 |
|---|---|
| Molecular Weight | 306.06 g/mol |
| LogP | -3.82 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 306.06274 |
| Heavy Atoms | 19 |
| Complexity | 101.0 |
Chemical Identifiers
| CAS Number | 5743-49-7 |
|---|---|
| SMILES | CC(=O)CCC(=O)[O-].CC(=O)CCC(=O)[O-].O.O.[Ca+2] |
| InChIKey | WQFDRFDIWAMOPA-UHFFFAOYSA-L |
Product Overview
Calcium Levulinate (CAS 5743-49-7), with molecular formula C10H18CaO8 and molecular weight 306.06 g/mol. IUPAC: calcium;bis(4-oxopentanoate);dihydrate.
Chemical Property Profile of Calcium Levulinate
Property Insights of Calcium Levulinate
The XLogP value of -3.82 indicates that Calcium Levulinate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Calcium Levulinate. Following Lipinski's Rule of Five, Calcium Levulinate has 2 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 Levulinate?
The CAS number of Calcium Levulinate is 5743-49-7.
What is the molecular formula of Calcium Levulinate?
The molecular formula of Calcium Levulinate is C10H18CaO8.
What is the molecular weight of Calcium Levulinate?
The molecular weight of Calcium Levulinate is 306.06 g/mol.
Where can I buy Calcium Levulinate?
You can request a quote for Calcium Levulinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calcium Levulinate?
Yes, KEHONG BIO provides custom synthesis services for Calcium Levulinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.