ketohexanoyl-CoA
TL;DR: ketohexanoyl-CoA (CAS 19774-86-8) is a chemical compound with molecular formula C27H44N7O18P3S and molecular weight 879.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[2-[3-[[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-oxohexanethioate
Also Known As: ketohexanoyl-CoA, 3-Oxohexanoyl-CoA, 3-ketohexanoyl-CoA, 3-ketohexanoyl CoA., Ketohexanoyl-Coenzyme A
| Molecular Formula | C27H44N7O18P3S |
|---|---|
| Molecular Weight | 879.17 g/mol |
| LogP | -5.0 |
| Topological Polar Surface Area | 406.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 23 |
| Rotatable Bonds | 24 |
| Exact Mass | 879.16766 |
| Heavy Atoms | 56 |
| Complexity | 1530.0 |
Chemical Identifiers
| CAS Number | 19774-86-8 |
|---|---|
| SMILES | CCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(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 | NFOYYXQAVVYWKV-ZOGSZLKASA-N |
Product Overview
ketohexanoyl-CoA (CAS 19774-86-8), with molecular formula C27H44N7O18P3S and molecular weight 879.17 g/mol. IUPAC: S-[2-[3-[[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-oxohexanethioate.
Chemical Property Profile of ketohexanoyl-CoA
Property Insights of ketohexanoyl-CoA
The XLogP value of -5.0 indicates that ketohexanoyl-CoA is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 406.0 Ų indicates high polarity, suggesting ketohexanoyl-CoA may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ketohexanoyl-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 ketohexanoyl-CoA?
The CAS number of ketohexanoyl-CoA is 19774-86-8.
What is the molecular formula of ketohexanoyl-CoA?
The molecular formula of ketohexanoyl-CoA is C27H44N7O18P3S.
What is the molecular weight of ketohexanoyl-CoA?
The molecular weight of ketohexanoyl-CoA is 879.17 g/mol.
Where can I buy ketohexanoyl-CoA?
You can request a quote for ketohexanoyl-CoA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ketohexanoyl-CoA?
Yes, KEHONG BIO provides custom synthesis services for ketohexanoyl-CoA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.