Coenzyme A, S-(3,7,11,15-tetramethylhexadecanoate)
TL;DR: Coenzyme A, S-(3,7,11,15-tetramethylhexadecanoate) (CAS 146622-45-9) is a chemical compound with molecular formula C41H74N7O17P3S and molecular weight 1061.4075 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] 3,7,11,15-tetramethylhexadecanethioate
Also Known As: Phytanoyl-coenzyme A, Phytanoyl Coenzyme A (trimethylammonium salt), Phytanoyl-coenzyme A; (Acyl-CoA); [M+H]+;, Coenzyme A, S-(3,7,11,15-tetramethylhexadecanoate), [(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[3-hydroxy-2,2-dimethyl-3-[2-[2-[(3S,7S,11R)-3,7,11,15-tetramethylhexadecanoyl]sulfanylethylcarbamoyl]ethylcarbamoyl]propoxy]phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl]oxyphosphonic acid
Technical Specifications
| Molecular Formula | C41H74N7O17P3S |
| Molecular Weight | 1061.4075 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 389.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 34 |
| Exact Mass | 1061.4075 Da |
| Heavy Atoms | 69 |
| Complexity | 1760.0 |
| SMILES | CC(C)CCCC(C)CCCC(C)CCCC(C)CC(=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 | NRJQGHHZMSOUEN-UHFFFAOYSA-N |
Product Description
Applications: Coenzyme A, S-(3,7,11,15-tetramethylhexadecanoate) is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Coenzyme A, S-(3,7,11,15-tetramethylhexadecanoate) is a fine chemical identified by CAS number 146622-45-9 and the molecular formula C41H74N7O17P3S and a molecular weight of 1061.41 g/mol. Synonyms include Phytanoyl-coenzyme A and Phytanoyl Coenzyme A (trimethylammonium salt).
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 Coenzyme A, S-(3,7,11,15-tetramethylhexadecanoate)
Property Insights of Coenzyme A, S-(3,7,11,15-tetramethylhexadecanoate)
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Coenzyme A, S-(3,7,11,15-tetramethylhexadecanoate). The TPSA of 389.0 Ų indicates high polarity, suggesting Coenzyme A, S-(3,7,11,15-tetramethylhexadecanoate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Coenzyme A, S-(3,7,11,15-tetramethylhexadecanoate) 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-(3,7,11,15-tetramethylhexadecanoate)?
The CAS number of Coenzyme A, S-(3,7,11,15-tetramethylhexadecanoate) is 146622-45-9.
What is the molecular formula of Coenzyme A, S-(3,7,11,15-tetramethylhexadecanoate)?
The molecular formula of Coenzyme A, S-(3,7,11,15-tetramethylhexadecanoate) is C41H74N7O17P3S.
What is the molecular weight of Coenzyme A, S-(3,7,11,15-tetramethylhexadecanoate)?
The molecular weight of Coenzyme A, S-(3,7,11,15-tetramethylhexadecanoate) is 1061.4075 g/mol.
What are the applications of Coenzyme A, S-(3,7,11,15-tetramethylhexadecanoate)?
Coenzyme A, S-(3,7,11,15-tetramethylhexadecanoate) is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical...
Where can I buy Coenzyme A, S-(3,7,11,15-tetramethylhexadecanoate)?
You can request a quote for Coenzyme A, S-(3,7,11,15-tetramethylhexadecanoate) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Coenzyme A, S-(3,7,11,15-tetramethylhexadecanoate)?
Yes, CoreyChem provides custom synthesis services for Coenzyme A, S-(3,7,11,15-tetramethylhexadecanoate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.