Phanodorn calcium
TL;DR: Phanodorn calcium (CAS 5897-20-1) is a chemical compound with molecular formula C12H14CaN2O3 and molecular weight 274.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium 5-(cyclohexen-1-yl)-5-ethyl-6-oxopyrimidine-2,4-diolate
Also Known As: Phanodorn calcium, Cyclobarbital calcium, Barbituric acid, 5-(1-cyclohexen-1-yl)-5-ethyl-, calcium salt, calcium 5-(cyclohex-1-en-1-yl)-5-ethyl-6-oxo-5,6-dihydropyrimidine-2,4-diolate, calcium 5-(cyclohexen-1-yl)-5-ethyl-6-oxopyrimidine-2,4-diolate
| Molecular Formula | C12H14CaN2O3 |
|---|---|
| Molecular Weight | 274.06 g/mol |
| LogP | -0.48 |
| Topological Polar Surface Area | 87.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 274.06302 |
| Heavy Atoms | 18 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 5897-20-1 |
|---|---|
| SMILES | CCC1(C(=NC(=NC1=O)[O-])[O-])C2=CCCCC2.[Ca+2] |
| InChIKey | WLFGRJGVFJFWQK-UHFFFAOYSA-L |
Product Overview
Phanodorn calcium (CAS 5897-20-1), with molecular formula C12H14CaN2O3 and molecular weight 274.06 g/mol. IUPAC: calcium 5-(cyclohexen-1-yl)-5-ethyl-6-oxopyrimidine-2,4-diolate.
Chemical Property Profile of Phanodorn calcium
Property Insights of Phanodorn calcium
The XLogP value of -0.48 indicates that Phanodorn calcium is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 87.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Phanodorn calcium. Following Lipinski's Rule of Five, Phanodorn calcium has 0 hydrogen bond donor(s) and 3 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 Phanodorn calcium?
The CAS number of Phanodorn calcium is 5897-20-1.
What is the molecular formula of Phanodorn calcium?
The molecular formula of Phanodorn calcium is C12H14CaN2O3.
What is the molecular weight of Phanodorn calcium?
The molecular weight of Phanodorn calcium is 274.06 g/mol.
Where can I buy Phanodorn calcium?
You can request a quote for Phanodorn calcium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phanodorn calcium?
Yes, KEHONG BIO provides custom synthesis services for Phanodorn calcium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.