Ipral calcium
TL;DR: Ipral calcium (CAS 545-74-4) is a chemical compound with molecular formula C18H26CaN4O6 and molecular weight 434.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium bis(5-ethyl-2,6-dioxo-5-propan-2-ylpyrimidin-4-olate)
Also Known As: Probarbital calcium, Ipral calcium, Calcium probarbital, 2,3-dimethoxystrychnidine, Calcium ethylisopropylbarbiturate
| Molecular Formula | C18H26CaN4O6 |
|---|---|
| Molecular Weight | 434.15 g/mol |
| LogP | -0.29 |
| Topological Polar Surface Area | 163.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 434.14783 |
| Heavy Atoms | 29 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 545-74-4 |
|---|---|
| SMILES | CCC1(C(=O)NC(=O)N=C1[O-])C(C)C.CCC1(C(=O)NC(=O)N=C1[O-])C(C)C.[Ca+2] |
| InChIKey | WZPJERQWVCHCKK-UHFFFAOYSA-L |
Product Overview
Ipral calcium (CAS 545-74-4), with molecular formula C18H26CaN4O6 and molecular weight 434.15 g/mol. IUPAC: calcium bis(5-ethyl-2,6-dioxo-5-propan-2-ylpyrimidin-4-olate).
Chemical Property Profile of Ipral calcium
Property Insights of Ipral calcium
The XLogP value of -0.29 indicates that Ipral calcium is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 163.0 Ų indicates high polarity, suggesting Ipral calcium may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ipral calcium has 2 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 Ipral calcium?
The CAS number of Ipral calcium is 545-74-4.
What is the molecular formula of Ipral calcium?
The molecular formula of Ipral calcium is C18H26CaN4O6.
What is the molecular weight of Ipral calcium?
The molecular weight of Ipral calcium is 434.15 g/mol.
Where can I buy Ipral calcium?
You can request a quote for Ipral calcium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ipral calcium?
Yes, KEHONG BIO provides custom synthesis services for Ipral calcium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.