alphamethylacetoacetyl CoA
TL;DR: alphamethylacetoacetyl CoA (CAS 7135-08-2) is a chemical compound with molecular formula C26H42N7O18P3S and molecular weight 865.152 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] 2-methyl-3-oxobutanethioate
Also Known As: alphamethylacetoacetyl CoA, 2-Methylacetoacetyl-coenzyme A, 9h-purin-6-amine, 9-[5-o-[hydroxy[[hydroxy[3-hydroxy-2,2-dimethyl-4-[[3-[[2-[(2-methyl-1,3-dioxobutyl)thio]ethyl]amino]-3-oxopropyl]amino]-4-oxobutoxy]phosphinyl]oxy]phosphinyl]-3-o-phosphonopentofuranosyl]-, 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) 2-methyl-3-oxobutanethioate, 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] 2-methyl-3-oxobutanethioate
Technical Specifications
| Molecular Formula | C26H42N7O18P3S |
| Molecular Weight | 865.152 g/mol |
| XLogP | -5.2 |
| Topological Polar Surface Area (TPSA) | 406.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 23 |
| Rotatable Bonds | 22 |
| Exact Mass | 865.152 Da |
| Heavy Atoms | 55 |
| Complexity | 1530.0 |
| SMILES | CC(C(=O)C)C(=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 | NHNODHRSCRALBF-UHFFFAOYSA-N |
Product Description
Applications: alphamethylacetoacetyl CoA is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies alphamethylacetoacetyl CoA (CAS 7135-08-2) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A fine chemical supplied by CoreyChem, alphamethylacetoacetyl CoA (CAS 7135-08-2) has the molecular formula C26H42N7O18P3S and a molecular weight of 865.15 g/mol. It is also known as alphamethylacetoacetyl CoA and 2-Methylacetoacetyl-coenzyme A.
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 alphamethylacetoacetyl CoA
Property Insights of alphamethylacetoacetyl CoA
The XLogP value of -5.2 indicates that alphamethylacetoacetyl CoA is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 406.0 Ų indicates high polarity, suggesting alphamethylacetoacetyl CoA may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, alphamethylacetoacetyl CoA has 9 hydrogen bond donor(s) and 23 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of alphamethylacetoacetyl CoA?
The CAS number of alphamethylacetoacetyl CoA is 7135-08-2.
What is the molecular formula of alphamethylacetoacetyl CoA?
The molecular formula of alphamethylacetoacetyl CoA is C26H42N7O18P3S.
What is the molecular weight of alphamethylacetoacetyl CoA?
The molecular weight of alphamethylacetoacetyl CoA is 865.152 g/mol.
What are the applications of alphamethylacetoacetyl CoA?
alphamethylacetoacetyl CoA is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies alphamethylacetoacetyl CoA (CAS 7135-08-2) with custom synthesis available from milligram to multi-kilogram scale, supported...
Where can I buy alphamethylacetoacetyl CoA?
You can request a quote for alphamethylacetoacetyl CoA directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for alphamethylacetoacetyl CoA?
Yes, CoreyChem provides custom synthesis services for alphamethylacetoacetyl CoA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.