辅酶A S-(3,7,11,15-四甲基十六酸酯)
TL;DR: 辅酶A S-(3,7,11,15-四甲基十六酸酯) (CAS 146622-45-9) is a chemical compound with molecular formula C41H74N7O17P3S and molecular weight 1061.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
辅酶A S-(3,7,11,15-四甲基十六酸酯)
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
| Molecular Formula | C41H74N7O17P3S |
|---|---|
| Molecular Weight | 1061.41 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 389.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 34 |
| Exact Mass | 1061.4075 |
| Heavy Atoms | 69 |
| Complexity | 1760.0 |
Chemical Identifiers
| CAS Number | 146622-45-9 |
|---|---|
| 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 Overview
辅酶A S-(3,7,11,15-四甲基十六酸酯) (CAS 146622-45-9), with molecular formula C41H74N7O17P3S and molecular weight 1061.41 g/mol. IUPAC: 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.
Chemical Property Profile of 辅酶A S-(3,7,11,15-四甲基十六酸酯)
Property Insights of 辅酶A S-(3,7,11,15-四甲基十六酸酯)
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 辅酶A S-(3,7,11,15-四甲基十六酸酯). The TPSA of 389.0 Ų indicates high polarity, suggesting 辅酶A S-(3,7,11,15-四甲基十六酸酯) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 辅酶A S-(3,7,11,15-四甲基十六酸酯) has 9 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 辅酶A S-(3,7,11,15-四甲基十六酸酯)?
The CAS number of 辅酶A S-(3,7,11,15-四甲基十六酸酯) is 146622-45-9.
What is the molecular formula of 辅酶A S-(3,7,11,15-四甲基十六酸酯)?
The molecular formula of 辅酶A S-(3,7,11,15-四甲基十六酸酯) is C41H74N7O17P3S.
What is the molecular weight of 辅酶A S-(3,7,11,15-四甲基十六酸酯)?
The molecular weight of 辅酶A S-(3,7,11,15-四甲基十六酸酯) is 1061.41 g/mol.
Where can I buy 辅酶A S-(3,7,11,15-四甲基十六酸酯)?
You can request a quote for 辅酶A S-(3,7,11,15-四甲基十六酸酯) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 辅酶A S-(3,7,11,15-四甲基十六酸酯)?
Yes, KEHONG BIO provides custom synthesis services for 辅酶A S-(3,7,11,15-四甲基十六酸酯) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.