Decanoyl-coa
TL;DR: Decanoyl-coa (CAS 14847-51-9) is a chemical compound with molecular formula C31H54N7O17P3S and molecular weight 921.25 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] decanethioate
Also Known As: Decanoyl-coa, Decanoyl coenzyme A, Decanoyl-coenzyme A, capryl-CoA, capryl-coenzyme A
| Molecular Formula | C31H54N7O17P3S |
|---|---|
| Molecular Weight | 921.25 g/mol |
| LogP | -1.6 |
| Topological Polar Surface Area | 389.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 28 |
| Exact Mass | 921.251 |
| Heavy Atoms | 59 |
| Complexity | 1520.0 |
Chemical Identifiers
| CAS Number | 14847-51-9 |
|---|---|
| SMILES | CCCCCCCCCC(=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 | CNKJPHSEFDPYDB-HSJNEKGZSA-N |
Product Overview
Decanoyl-coa (CAS 14847-51-9), with molecular formula C31H54N7O17P3S and molecular weight 921.25 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] decanethioate.
Chemical Property Profile of Decanoyl-coa
Property Insights of Decanoyl-coa
The XLogP value of -1.6 indicates that Decanoyl-coa is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 389.0 Ų indicates high polarity, suggesting Decanoyl-coa may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Decanoyl-coa 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 Decanoyl-coa?
The CAS number of Decanoyl-coa is 14847-51-9.
What is the molecular formula of Decanoyl-coa?
The molecular formula of Decanoyl-coa is C31H54N7O17P3S.
What is the molecular weight of Decanoyl-coa?
The molecular weight of Decanoyl-coa is 921.25 g/mol.
Where can I buy Decanoyl-coa?
You can request a quote for Decanoyl-coa directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Decanoyl-coa?
Yes, KEHONG BIO provides custom synthesis services for Decanoyl-coa and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.