Acetoacetyl coenzyme A sodium salt
TL;DR: Acetoacetyl coenzyme A sodium salt (CAS 102029-52-7) is a chemical compound with molecular formula C25H37N7O18P3S-3 and molecular weight 848.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[[3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[2-(3-oxobutanoylsulfanyl)ethylamino]propyl]amino]butoxy]-oxidophosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] phosphate
Also Known As: Acetoacetyl coenzyme A sodium salt, [5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[[3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[2-(3-oxobutanoylsulfanyl)ethylamino]propyl]amino]butoxy]-oxidophosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] phosphate
| Molecular Formula | C25H37N7O18P3S-3 |
|---|---|
| Molecular Weight | 848.11 g/mol |
| LogP | -3.2522 |
| Topological Polar Surface Area | 389.19 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 21 |
| Exact Mass | 848.11285 |
| Heavy Atoms | 54 |
| Complexity | 1827.6754 |
Chemical Identifiers
| CAS Number | 102029-52-7 |
|---|---|
| SMILES | CC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)([O-])[O-])O |
Product Overview
Acetoacetyl coenzyme A sodium salt (CAS 102029-52-7), with molecular formula C25H37N7O18P3S-3 and molecular weight 848.11 g/mol. IUPAC: [5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[[3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[2-(3-oxobutanoylsulfanyl)ethylamino]propyl]amino]butoxy]-oxidophosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] phosphate.
Chemical Property Profile of Acetoacetyl coenzyme A sodium salt
Property Insights of Acetoacetyl coenzyme A sodium salt
The XLogP value of -3.2522 indicates that Acetoacetyl coenzyme A sodium salt is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 389.19 Ų indicates high polarity, suggesting Acetoacetyl coenzyme A sodium salt may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Acetoacetyl coenzyme A sodium salt has 6 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Acetoacetyl coenzyme A sodium salt?
The CAS number of Acetoacetyl coenzyme A sodium salt is 102029-52-7.
What is the molecular formula of Acetoacetyl coenzyme A sodium salt?
The molecular formula of Acetoacetyl coenzyme A sodium salt is C25H37N7O18P3S-3.
What is the molecular weight of Acetoacetyl coenzyme A sodium salt?
The molecular weight of Acetoacetyl coenzyme A sodium salt is 848.11 g/mol.
Where can I buy Acetoacetyl coenzyme A sodium salt?
You can request a quote for Acetoacetyl coenzyme A sodium salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetoacetyl coenzyme A sodium salt?
Yes, KEHONG BIO provides custom synthesis services for Acetoacetyl coenzyme A sodium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.