Coenzyme A, S-benzenepropanoate
TL;DR: Coenzyme A, S-benzenepropanoate (CAS 117411-09-3) is a chemical compound with molecular formula C30H44N7O17P3S and molecular weight 899.1727 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-phenylpropanethioate
Also Known As: Phenylpropionyl-coa, 3-phenylpropanoyl-CoA, Phenylpropionyl-coenzyme A, dihydrocinnamoyl-CoA, Coenzyme A, phenylpropionyl-
Technical Specifications
| Molecular Formula | C30H44N7O17P3S |
| Molecular Weight | 899.1727 g/mol |
| XLogP | -3.8 |
| Topological Polar Surface Area (TPSA) | 389.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 23 |
| Exact Mass | 899.1727 Da |
| Heavy Atoms | 58 |
| Complexity | 1540.0 |
| 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)CCC4=CC=CC=C4)O |
| InChIKey | HYSDRCZPYSOWME-FUEUKBNZSA-N |
Chemical Property Profile of Coenzyme A, S-benzenepropanoate
Property Insights of Coenzyme A, S-benzenepropanoate
The XLogP value of -3.8 indicates that Coenzyme A, S-benzenepropanoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 389.0 Ų indicates high polarity, suggesting Coenzyme A, S-benzenepropanoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Coenzyme A, S-benzenepropanoate 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 Coenzyme A, S-benzenepropanoate?
The CAS number of Coenzyme A, S-benzenepropanoate is 117411-09-3.
What is the molecular formula of Coenzyme A, S-benzenepropanoate?
The molecular formula of Coenzyme A, S-benzenepropanoate is C30H44N7O17P3S.
What is the molecular weight of Coenzyme A, S-benzenepropanoate?
The molecular weight of Coenzyme A, S-benzenepropanoate is 899.1727 g/mol.
Where can I buy Coenzyme A, S-benzenepropanoate?
You can request a quote for Coenzyme A, S-benzenepropanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Coenzyme A, S-benzenepropanoate?
Yes, CoreyChem provides custom synthesis services for Coenzyme A, S-benzenepropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.