2-Oxocyclohexane-1-carbonyl-CoA
TL;DR: 2-Oxocyclohexane-1-carbonyl-CoA (CAS 156007-01-1) is a chemical compound with molecular formula C28H44N7O18P3S and molecular weight 891.16766 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
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] 2-oxocyclohexane-1-carbothioate
Also Known As: 2-oxocyclohexane-1-carbonyl-CoA, 2-oxocyclohexanecarbonyl-CoA, 2-ketoCHC-CoA, 2-oxocyclohexanecarboxyl-CoA, 2-ketocyclohexanecarbonyl-CoA
Technical Specifications
| Molecular Formula | C28H44N7O18P3S |
| Molecular Weight | 891.16766 g/mol |
| XLogP | -4.7 |
| Topological Polar Surface Area (TPSA) | 406.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 23 |
| Rotatable Bonds | 21 |
| Exact Mass | 891.16766 Da |
| Heavy Atoms | 57 |
| Complexity | 1600.0 |
| SMILES | CC(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)[C@H](C(=O)NCCC(=O)NCCSC(=O)C4CCCCC4=O)O |
| InChIKey | BGLNPJARTQOCKR-OXXAVVHVSA-N |
Chemical Property Profile of 2-Oxocyclohexane-1-carbonyl-CoA
Property Insights of 2-Oxocyclohexane-1-carbonyl-CoA
The XLogP value of -4.7 indicates that 2-Oxocyclohexane-1-carbonyl-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 2-Oxocyclohexane-1-carbonyl-CoA may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Oxocyclohexane-1-carbonyl-CoA has 9 hydrogen bond donor(s) and 23 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 2-Oxocyclohexane-1-carbonyl-CoA?
The CAS number of 2-Oxocyclohexane-1-carbonyl-CoA is 156007-01-1.
What is the molecular formula of 2-Oxocyclohexane-1-carbonyl-CoA?
The molecular formula of 2-Oxocyclohexane-1-carbonyl-CoA is C28H44N7O18P3S.
What is the molecular weight of 2-Oxocyclohexane-1-carbonyl-CoA?
The molecular weight of 2-Oxocyclohexane-1-carbonyl-CoA is 891.16766 g/mol.
Where can I buy 2-Oxocyclohexane-1-carbonyl-CoA?
You can request a quote for 2-Oxocyclohexane-1-carbonyl-CoA directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Oxocyclohexane-1-carbonyl-CoA?
Yes, CoreyChem provides custom synthesis services for 2-Oxocyclohexane-1-carbonyl-CoA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.