Stearoyl-(1,N(6))-etheno-coenzyme A
TL;DR: Stearoyl-(1,N(6))-etheno-coenzyme A (CAS 96886-78-1) is a chemical compound with molecular formula C41H70N7O17P3S and molecular weight 1057.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[2-[3-[[2-hydroxy-4-[hydroxy-[hydroxy-[(4-hydroxy-5-imidazo[2,1-f]purin-3-yl-3-phosphonooxyoxolan-2-yl)methoxy]phosphoryl]oxyphosphoryl]oxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] octadecanethioate
Also Known As: Stearoyl-epsilon-coa, Stearoyl-(1,N(6))-etheno-coa, Stearoyl-(1,N(6))-etheno-coenzyme A, Coenzyme A, stearoyl-(1,N(6))-etheno-, S-[2-[3-[[2-hydroxy-4-[hydroxy-[hydroxy-[(4-hydroxy-5-imidazo[2,1-f]purin-3-yl-3-phosphonooxyoxolan-2-yl)methoxy]phosphoryl]oxyphosphoryl]oxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] octadecanethioate
| Molecular Formula | C41H70N7O17P3S |
|---|---|
| Molecular Weight | 1057.38 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 367.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 36 |
| Exact Mass | 1057.3762 |
| Heavy Atoms | 69 |
| Complexity | 1740.0 |
Chemical Identifiers
| CAS Number | 96886-78-1 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN4C3=NC=C4)O)OP(=O)(O)O)O |
| InChIKey | QVYSJHMIKDJAPR-UHFFFAOYSA-N |
Product Overview
Stearoyl-(1,N(6))-etheno-coenzyme A (CAS 96886-78-1), with molecular formula C41H70N7O17P3S and molecular weight 1057.38 g/mol. IUPAC: S-[2-[3-[[2-hydroxy-4-[hydroxy-[hydroxy-[(4-hydroxy-5-imidazo[2,1-f]purin-3-yl-3-phosphonooxyoxolan-2-yl)methoxy]phosphoryl]oxyphosphoryl]oxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] octadecanethioate.
Chemical Property Profile of Stearoyl-(1,N(6))-etheno-coenzyme A
Property Insights of Stearoyl-(1,N(6))-etheno-coenzyme A
The XLogP value of 4.0 indicates that Stearoyl-(1,N(6))-etheno-coenzyme A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 367.0 Ų indicates high polarity, suggesting Stearoyl-(1,N(6))-etheno-coenzyme A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Stearoyl-(1,N(6))-etheno-coenzyme A has 8 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Stearoyl-(1,N(6))-etheno-coenzyme A?
The CAS number of Stearoyl-(1,N(6))-etheno-coenzyme A is 96886-78-1.
What is the molecular formula of Stearoyl-(1,N(6))-etheno-coenzyme A?
The molecular formula of Stearoyl-(1,N(6))-etheno-coenzyme A is C41H70N7O17P3S.
What is the molecular weight of Stearoyl-(1,N(6))-etheno-coenzyme A?
The molecular weight of Stearoyl-(1,N(6))-etheno-coenzyme A is 1057.38 g/mol.
Where can I buy Stearoyl-(1,N(6))-etheno-coenzyme A?
You can request a quote for Stearoyl-(1,N(6))-etheno-coenzyme A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Stearoyl-(1,N(6))-etheno-coenzyme A?
Yes, KEHONG BIO provides custom synthesis services for Stearoyl-(1,N(6))-etheno-coenzyme A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.