Valproyl-adenylic acid
TL;DR: Valproyl-adenylic acid (CAS 140233-88-1) is a chemical compound with molecular formula C18H28N5O8P and molecular weight 473.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] 2-propylpentanoate
Also Known As: Valproyl-adenylic acid, Valproyl-amp, 5'-Adenylic acid, monoanhydride with 2-propylpentanoic acid, 5'-O-{Hydroxy[(2-propylpentanoyl)oxy]phosphoryl}adenosine, [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] 2-propylpentanoate
| Molecular Formula | C18H28N5O8P |
|---|---|
| Molecular Weight | 473.17 g/mol |
| LogP | 0.9043 |
| Topological Polar Surface Area | 192.14 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 10 |
| Exact Mass | 473.16754 |
| Heavy Atoms | 32 |
| Complexity | 981.4308 |
Chemical Identifiers
| CAS Number | 140233-88-1 |
|---|---|
| SMILES | CCCC(CCC)C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O |
Product Overview
Valproyl-adenylic acid (CAS 140233-88-1), with molecular formula C18H28N5O8P and molecular weight 473.17 g/mol. IUPAC: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] 2-propylpentanoate.
Chemical Property Profile of Valproyl-adenylic acid
Property Insights of Valproyl-adenylic acid
The XLogP value of 0.9043 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Valproyl-adenylic acid. The TPSA of 192.14 Ų indicates high polarity, suggesting Valproyl-adenylic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Valproyl-adenylic acid has 4 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Valproyl-adenylic acid?
The CAS number of Valproyl-adenylic acid is 140233-88-1.
What is the molecular formula of Valproyl-adenylic acid?
The molecular formula of Valproyl-adenylic acid is C18H28N5O8P.
What is the molecular weight of Valproyl-adenylic acid?
The molecular weight of Valproyl-adenylic acid is 473.17 g/mol.
Where can I buy Valproyl-adenylic acid?
You can request a quote for Valproyl-adenylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Valproyl-adenylic acid?
Yes, KEHONG BIO provides custom synthesis services for Valproyl-adenylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.