Phenolphthaleindibutyrate
TL;DR: Phenolphthaleindibutyrate (CAS 72-89-9) is a chemical compound with molecular formula C23H38N7O17P3S and molecular weight 809.1258 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] ethanethioate
Also Known As: Acetyl CoA, acetyl-CoA, acetylcoenzyme-A, Acetyl-CoenzymeA, S-acetylcoenzym A
Technical Specifications
| Molecular Formula | C23H38N7O17P3S |
| Molecular Weight | 809.1258 g/mol |
| XLogP | -5.6 |
| Topological Polar Surface Area (TPSA) | 389.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 20 |
| Exact Mass | 809.1258 Da |
| Heavy Atoms | 51 |
| Complexity | 1380.0 |
| SMILES | 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 |
| InChIKey | ZSLZBFCDCINBPY-UHFFFAOYSA-N |
Product Description
Applications: Phenolphthaleindibutyrate is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Phenolphthaleindibutyrate (CAS 72-89-9) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Phenolphthaleindibutyrate is a fine chemical identified by CAS number 72-89-9 and the molecular formula C23H38N7O17P3S and a molecular weight of 809.13 g/mol. It is also known as Acetyl CoA and acetyl-CoA.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Phenolphthaleindibutyrate
Property Insights of Phenolphthaleindibutyrate
The XLogP value of -5.6 indicates that Phenolphthaleindibutyrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 389.0 Ų indicates high polarity, suggesting Phenolphthaleindibutyrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Phenolphthaleindibutyrate has 9 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Phenolphthaleindibutyrate?
The CAS number of Phenolphthaleindibutyrate is 72-89-9.
What is the molecular formula of Phenolphthaleindibutyrate?
The molecular formula of Phenolphthaleindibutyrate is C23H38N7O17P3S.
What is the molecular weight of Phenolphthaleindibutyrate?
The molecular weight of Phenolphthaleindibutyrate is 809.1258 g/mol.
What are the applications of Phenolphthaleindibutyrate?
Phenolphthaleindibutyrate is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Phenolphthaleindibutyrate (CAS 72-89-9) with custom synthesis available from milligram to multi-kilogram scale, supported by...
Where can I buy Phenolphthaleindibutyrate?
You can request a quote for Phenolphthaleindibutyrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phenolphthaleindibutyrate?
Yes, CoreyChem provides custom synthesis services for Phenolphthaleindibutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.