Pivalyl-Coenzyme A
TL;DR: Pivalyl-Coenzyme A (CAS 137415-16-8) is a chemical compound with molecular formula C26H44N7O17P3S and molecular weight 851.1727 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] 2,2-dimethylpropanethioate
Also Known As: Pivalyl-Coenzyme A, Pivaloyl-CoA, Pivalyl-CoA, 2,2-dimethylpropanoyl-CoA, 2,2-dimethylpropionyl-CoA
Technical Specifications
| Molecular Formula | C26H44N7O17P3S |
| Molecular Weight | 851.1727 g/mol |
| XLogP | -4.2 |
| Topological Polar Surface Area (TPSA) | 389.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 21 |
| Exact Mass | 851.1727 Da |
| Heavy Atoms | 54 |
| Complexity | 1470.0 |
| SMILES | CC(C)(C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(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)O |
| InChIKey | FCMKBHDFOPWWQK-NDZSKPAWSA-N |
Chemical Property Profile of Pivalyl-Coenzyme A
Property Insights of Pivalyl-Coenzyme A
The XLogP value of -4.2 indicates that Pivalyl-Coenzyme A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 389.0 Ų indicates high polarity, suggesting Pivalyl-Coenzyme A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pivalyl-Coenzyme A 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 Pivalyl-Coenzyme A?
The CAS number of Pivalyl-Coenzyme A is 137415-16-8.
What is the molecular formula of Pivalyl-Coenzyme A?
The molecular formula of Pivalyl-Coenzyme A is C26H44N7O17P3S.
What is the molecular weight of Pivalyl-Coenzyme A?
The molecular weight of Pivalyl-Coenzyme A is 851.1727 g/mol.
Where can I buy Pivalyl-Coenzyme A?
You can request a quote for Pivalyl-Coenzyme A directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pivalyl-Coenzyme A?
Yes, CoreyChem provides custom synthesis services for Pivalyl-Coenzyme A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.