3-Oxopalmitoyl-CoA
TL;DR: 3-Oxopalmitoyl-CoA (CAS 39251-01-9) 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-[[(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-oxohexadecanethioate
Also Known As: 3-Oxopalmitoyl-CoA, 3-ketopalmitoyl-CoA, 3-Oxohexadecanoyl-CoA, 3-Oxopalmitoyl CoA, beta-Ketopalmitoyl-CoA
| Molecular Formula | C37H64N7O18P3S |
|---|---|
| Molecular Weight | 1019.32 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 406.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 23 |
| Rotatable Bonds | 34 |
| Exact Mass | 1019.32416 |
| Heavy Atoms | 66 |
| Complexity | 1700.0 |
Chemical Identifiers
| CAS Number | 39251-01-9 |
|---|---|
| SMILES | CCCCCCCCCCCCCC(=O)CC(=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 | NQMPLXPCRJOSHL-BBECNAHFSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Oxopalmitoyl-CoA (CAS 39251-01-9), with molecular formula C37H64N7O18P3S and molecular weight 1019.32 g/mol. IUPAC: 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-oxohexadecanethioate.
Chemical Property Profile of 3-Oxopalmitoyl-CoA
Property Insights of 3-Oxopalmitoyl-CoA
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Oxopalmitoyl-CoA. The TPSA of 406.0 Ų indicates high polarity, suggesting 3-Oxopalmitoyl-CoA may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-Oxopalmitoyl-CoA has 9 hydrogen bond donor(s) and 23 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Oxopalmitoyl-CoA?
The CAS number of 3-Oxopalmitoyl-CoA is 39251-01-9.
What is the molecular formula of 3-Oxopalmitoyl-CoA?
The molecular formula of 3-Oxopalmitoyl-CoA is C37H64N7O18P3S.
What is the molecular weight of 3-Oxopalmitoyl-CoA?
The molecular weight of 3-Oxopalmitoyl-CoA is 1019.32 g/mol.
Where can I buy 3-Oxopalmitoyl-CoA?
You can request a quote for 3-Oxopalmitoyl-CoA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Oxopalmitoyl-CoA?
Yes, KEHONG BIO provides custom synthesis services for 3-Oxopalmitoyl-CoA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.