Disodium phenobarbital
TL;DR: Disodium phenobarbital (CAS 54840-95-8) is a chemical compound with molecular formula C12H10N2Na2O3 and molecular weight 276.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;5-ethyl-6-oxo-5-phenylpyrimidine-2,4-diolate
Also Known As: Phenobarbital disodium, Disodium phenobarbital, Phenobarbitone disodium salt, 5-Ethyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione disodium salt, DISODIUM 5-ETHYL-6-OXO-5-PHENYL-PYRIMIDINE-2,4-DIOLATE
| Molecular Formula | C12H10N2Na2O3 |
|---|---|
| Molecular Weight | 276.05 g/mol |
| LogP | -6.6423 |
| Topological Polar Surface Area | 87.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 276.04868 |
| Heavy Atoms | 19 |
| Complexity | 516.9656 |
Chemical Identifiers
| CAS Number | 54840-95-8 |
|---|---|
| SMILES | CCC1(C(=NC(=NC1=O)[O-])[O-])C2=CC=CC=C2.[Na+].[Na+] |
Product Overview
Disodium phenobarbital (CAS 54840-95-8), with molecular formula C12H10N2Na2O3 and molecular weight 276.05 g/mol. IUPAC: disodium;5-ethyl-6-oxo-5-phenylpyrimidine-2,4-diolate.
Chemical Property Profile of Disodium phenobarbital
Property Insights of Disodium phenobarbital
The XLogP value of -6.6423 indicates that Disodium phenobarbital is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 87.91 Ų falls within the moderate polarity range, balancing permeability and solubility for Disodium phenobarbital. Following Lipinski's Rule of Five, Disodium phenobarbital has 0 hydrogen bond donor(s) and 4 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 Disodium phenobarbital?
The CAS number of Disodium phenobarbital is 54840-95-8.
What is the molecular formula of Disodium phenobarbital?
The molecular formula of Disodium phenobarbital is C12H10N2Na2O3.
What is the molecular weight of Disodium phenobarbital?
The molecular weight of Disodium phenobarbital is 276.05 g/mol.
Where can I buy Disodium phenobarbital?
You can request a quote for Disodium phenobarbital directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Disodium phenobarbital?
Yes, KEHONG BIO provides custom synthesis services for Disodium phenobarbital and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.