Phosphocreatine sodium
TL;DR: Phosphocreatine sodium (CAS 33166-68-6) is a chemical compound with molecular formula C4H8N3Na2O5P and molecular weight 255.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;2-[methyl-[(E)-N'-phosphonatocarbamimidoyl]amino]acetic acid
Also Known As: Disodium phosphocreatine, Phosphocreatine sodium, Phosphocreatine Disodium, phosphocreatine disodium salt, Sodium phosphocreatine
| Molecular Formula | C4H8N3Na2O5P |
|---|---|
| Molecular Weight | 255.00 g/mol |
| LogP | -8.8458 |
| Topological Polar Surface Area | 142.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 254.9997 |
| Heavy Atoms | 15 |
| Complexity | 279.4507 |
Chemical Identifiers
| CAS Number | 33166-68-6 |
|---|---|
| SMILES | CN(CC(=O)O)/C(=N/P(=O)([O-])[O-])/N.[Na+].[Na+] |
Product Overview
Phosphocreatine sodium (CAS 33166-68-6), with molecular formula C4H8N3Na2O5P and molecular weight 255.00 g/mol. IUPAC: disodium;2-[methyl-[(E)-N'-phosphonatocarbamimidoyl]amino]acetic acid.
Chemical Property Profile of Phosphocreatine sodium
Property Insights of Phosphocreatine sodium
The XLogP value of -8.8458 indicates that Phosphocreatine sodium is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 142.11 Ų indicates high polarity, suggesting Phosphocreatine sodium may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Phosphocreatine sodium has 2 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 Phosphocreatine sodium?
The CAS number of Phosphocreatine sodium is 33166-68-6.
What is the molecular formula of Phosphocreatine sodium?
The molecular formula of Phosphocreatine sodium is C4H8N3Na2O5P.
What is the molecular weight of Phosphocreatine sodium?
The molecular weight of Phosphocreatine sodium is 255.00 g/mol.
Where can I buy Phosphocreatine sodium?
You can request a quote for Phosphocreatine sodium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphocreatine sodium?
Yes, KEHONG BIO provides custom synthesis services for Phosphocreatine sodium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.