Octanoyl-coa
TL;DR: Octanoyl-coa (CAS 324518-20-9) is a chemical compound with molecular formula C29H50N7O17P3S and molecular weight 893.22 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] octanethioate
Also Known As: octanoyl-CoA, Octanoyl coenzyme A, octanoyl-coenzyme A, Capryloyl CoA, Tobicillin
| Molecular Formula | C29H50N7O17P3S |
|---|---|
| Molecular Weight | 893.22 g/mol |
| LogP | -2.6 |
| Topological Polar Surface Area | 389.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 26 |
| Exact Mass | 893.21967 |
| Heavy Atoms | 57 |
| Complexity | 1480.0 |
Chemical Identifiers
| CAS Number | 324518-20-9 |
|---|---|
| SMILES | CCCCCCCC(=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 | KQMZYOXOBSXMII-CECATXLMSA-N |
Product Overview
Octanoyl-coa (CAS 324518-20-9), with molecular formula C29H50N7O17P3S and molecular weight 893.22 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] octanethioate.
Chemical Property Profile of Octanoyl-coa
Property Insights of Octanoyl-coa
The XLogP value of -2.6 indicates that Octanoyl-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 Octanoyl-coa may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Octanoyl-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 Octanoyl-coa?
The CAS number of Octanoyl-coa is 324518-20-9.
What is the molecular formula of Octanoyl-coa?
The molecular formula of Octanoyl-coa is C29H50N7O17P3S.
What is the molecular weight of Octanoyl-coa?
The molecular weight of Octanoyl-coa is 893.22 g/mol.
Where can I buy Octanoyl-coa?
You can request a quote for Octanoyl-coa directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octanoyl-coa?
Yes, KEHONG BIO provides custom synthesis services for Octanoyl-coa and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.