3-ketopalmitoyl-CoA
TL;DR: 3-ketopalmitoyl-CoA (CAS 34619-89-1) is a chemical compound with molecular formula C37H64N7O18P3S and molecular weight 1019.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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-oxohexadecanethioate
Also Known As: 3-ketopalmitoyl-CoA, beta-Ketohexadecanoyl-coenzyme A, 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-oxohexadecanethioate
| Molecular Formula | C37H64N7O18P3S |
|---|---|
| Molecular Weight | 1019.32 g/mol |
| LogP | 3.325 |
| Topological Polar Surface Area | 380.7 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 33 |
| Exact Mass | 1019.32416 |
| Heavy Atoms | 66 |
| Complexity | 2043.645 |
Chemical Identifiers
| CAS Number | 34619-89-1 |
|---|---|
| SMILES | CCCCCCCCCCCCCC(=O)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 |
Product Overview
3-ketopalmitoyl-CoA (CAS 34619-89-1), with molecular formula C37H64N7O18P3S and molecular weight 1019.32 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-oxohexadecanethioate.
Chemical Property Profile of 3-ketopalmitoyl-CoA
Property Insights of 3-ketopalmitoyl-CoA
The XLogP value of 3.325 indicates that 3-ketopalmitoyl-CoA is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 380.7 Ų indicates high polarity, suggesting 3-ketopalmitoyl-CoA may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-ketopalmitoyl-CoA has 9 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-ketopalmitoyl-CoA?
The CAS number of 3-ketopalmitoyl-CoA is 34619-89-1.
What is the molecular formula of 3-ketopalmitoyl-CoA?
The molecular formula of 3-ketopalmitoyl-CoA is C37H64N7O18P3S.
What is the molecular weight of 3-ketopalmitoyl-CoA?
The molecular weight of 3-ketopalmitoyl-CoA is 1019.32 g/mol.
Where can I buy 3-ketopalmitoyl-CoA?
You can request a quote for 3-ketopalmitoyl-CoA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-ketopalmitoyl-CoA?
Yes, KEHONG BIO provides custom synthesis services for 3-ketopalmitoyl-CoA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.