3-ketodecanoyl-CoA
TL;DR: 3-ketodecanoyl-CoA (CAS 50411-91-1) is a chemical compound with molecular formula C31H52N7O18P3S and molecular weight 935.23 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-oxodecanethioate
Also Known As: 3-ketodecanoyl-CoA, 3-Oxodecanoyl-CoA, 3-oxodecanoyl-coenzyme A, 3-ketodecanoyl-coenzyme A, 10:0 (3-Oxo) CoA (ammonium salt)
| Molecular Formula | C31H52N7O18P3S |
|---|---|
| Molecular Weight | 935.23 g/mol |
| LogP | -2.8 |
| Topological Polar Surface Area | 406.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 23 |
| Rotatable Bonds | 28 |
| Exact Mass | 935.2302 |
| Heavy Atoms | 60 |
| Complexity | 1600.0 |
Chemical Identifiers
| CAS Number | 50411-91-1 |
|---|---|
| SMILES | CCCCCCCC(=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 | AZCVXMAPLHSIKY-BOJFXZHGSA-N |
Product Overview
3-ketodecanoyl-CoA (CAS 50411-91-1), with molecular formula C31H52N7O18P3S and molecular weight 935.23 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-oxodecanethioate.
Chemical Property Profile of 3-ketodecanoyl-CoA
Property Insights of 3-ketodecanoyl-CoA
The XLogP value of -2.8 indicates that 3-ketodecanoyl-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 3-ketodecanoyl-CoA may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-ketodecanoyl-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-ketodecanoyl-CoA?
The CAS number of 3-ketodecanoyl-CoA is 50411-91-1.
What is the molecular formula of 3-ketodecanoyl-CoA?
The molecular formula of 3-ketodecanoyl-CoA is C31H52N7O18P3S.
What is the molecular weight of 3-ketodecanoyl-CoA?
The molecular weight of 3-ketodecanoyl-CoA is 935.23 g/mol.
Where can I buy 3-ketodecanoyl-CoA?
You can request a quote for 3-ketodecanoyl-CoA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-ketodecanoyl-CoA?
Yes, KEHONG BIO provides custom synthesis services for 3-ketodecanoyl-CoA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.