benzoylacetyl-CoA
TL;DR: benzoylacetyl-CoA (CAS 103319-60-4) is a chemical compound with molecular formula C30H42N7O18P3S and molecular weight 913.152 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 3-oxo-3-phenylpropanethioate
Also Known As: benzoylacetyl-CoA, Benzoylacetyl-Coenzyme A, Benzoylacetyl coenzyme A, Benzoyl acetyl coenzyme A, BENZOYL-ACETYL-COA
Technical Specifications
| Molecular Formula | C30H42N7O18P3S |
| Molecular Weight | 913.152 g/mol |
| XLogP | -4.1 |
| Topological Polar Surface Area (TPSA) | 406.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 23 |
| Rotatable Bonds | 23 |
| Exact Mass | 913.152 Da |
| Heavy Atoms | 59 |
| Complexity | 1620.0 |
| SMILES | CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CC(=O)C4=CC=CC=C4)O |
| InChIKey | NHDPIYICCBKNNJ-FUEUKBNZSA-N |
Product Description
Applications: benzoylacetyl-CoA is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies benzoylacetyl-CoA (CAS 103319-60-4) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
benzoylacetyl-CoA (CAS 103319-60-4) is a fine chemical with the molecular formula C30H42N7O18P3S and a molecular weight of 913.15 g/mol. It is also known as benzoylacetyl-CoA and Benzoylacetyl-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 benzoylacetyl-CoA
Property Insights of benzoylacetyl-CoA
The XLogP value of -4.1 indicates that benzoylacetyl-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 benzoylacetyl-CoA may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, benzoylacetyl-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 benzoylacetyl-CoA?
The CAS number of benzoylacetyl-CoA is 103319-60-4.
What is the molecular formula of benzoylacetyl-CoA?
The molecular formula of benzoylacetyl-CoA is C30H42N7O18P3S.
What is the molecular weight of benzoylacetyl-CoA?
The molecular weight of benzoylacetyl-CoA is 913.152 g/mol.
What are the applications of benzoylacetyl-CoA?
benzoylacetyl-CoA is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies benzoylacetyl-CoA (CAS 103319-60-4) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and...
Where can I buy benzoylacetyl-CoA?
You can request a quote for benzoylacetyl-CoA directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for benzoylacetyl-CoA?
Yes, CoreyChem provides custom synthesis services for benzoylacetyl-CoA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.