benzoyl-CoA
TL;DR: benzoyl-CoA (CAS 102185-37-5) is a chemical compound with molecular formula C28H40N7O17P3S and molecular weight 871.1414 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] benzenecarbothioate
Also Known As: Benzoyl-coa, Benzoyl CoA, Benzoyl Coenzyme A, benzoyl-coenzyme A, S-Benzoate
Technical Specifications
| Molecular Formula | C28H40N7O17P3S |
| Molecular Weight | 871.1414 g/mol |
| XLogP | -4.0 |
| Topological Polar Surface Area (TPSA) | 389.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 21 |
| Exact Mass | 871.1414 Da |
| Heavy Atoms | 56 |
| Complexity | 1510.0 |
| 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)C4=CC=CC=C4)O |
| InChIKey | VEVJTUNLALKRNO-TYHXJLICSA-N |
Product Description
Applications: benzoyl-CoA is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies benzoyl-CoA (CAS 102185-37-5) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
benzoyl-CoA (CAS 102185-37-5) is a fine chemical with the molecular formula C28H40N7O17P3S and a molecular weight of 871.14 g/mol. It is also known as Benzoyl-coa and Benzoyl 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 benzoyl-CoA
Property Insights of benzoyl-CoA
The XLogP value of -4.0 indicates that benzoyl-CoA is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 389.0 Ų indicates high polarity, suggesting benzoyl-CoA may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, benzoyl-CoA 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 benzoyl-CoA?
The CAS number of benzoyl-CoA is 102185-37-5.
What is the molecular formula of benzoyl-CoA?
The molecular formula of benzoyl-CoA is C28H40N7O17P3S.
What is the molecular weight of benzoyl-CoA?
The molecular weight of benzoyl-CoA is 871.1414 g/mol.
What are the applications of benzoyl-CoA?
benzoyl-CoA is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies benzoyl-CoA (CAS 102185-37-5) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS...
Where can I buy benzoyl-CoA?
You can request a quote for benzoyl-CoA directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for benzoyl-CoA?
Yes, CoreyChem provides custom synthesis services for benzoyl-CoA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.