2-hydroxy-6-oxocyclohexane-1-carbonyl-CoA
TL;DR: 2-hydroxy-6-oxocyclohexane-1-carbonyl-CoA (CAS 958766-66-0) is a chemical compound with molecular formula C28H44N7O19P3S and molecular weight 907.16 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] 2-hydroxy-6-oxocyclohexane-1-carbothioate
Also Known As: 2-hydroxy-6-oxocyclohexane-1-carbonyl-CoA, 6-Oxo-2-hydroxycyclohexanecarbonyl-CoA, 6-Oxo-2-hydroxycyclohexanecarboxyl-CoA, 6-Oxo-2-hydroxycyclohexane-1-carbonyl-CoA, 6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA
| Molecular Formula | C28H44N7O19P3S |
|---|---|
| Molecular Weight | 907.16 g/mol |
| LogP | -1.6052 |
| Topological Polar Surface Area | 400.93 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 20 |
| Exact Mass | 907.16254 |
| Heavy Atoms | 58 |
| Complexity | 1968.477 |
Chemical Identifiers
| CAS Number | 958766-66-0 |
|---|---|
| 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)C4C(CCCC4=O)O)O |
Product Overview
2-hydroxy-6-oxocyclohexane-1-carbonyl-CoA (CAS 958766-66-0), with molecular formula C28H44N7O19P3S and molecular weight 907.16 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] 2-hydroxy-6-oxocyclohexane-1-carbothioate.
Chemical Property Profile of 2-hydroxy-6-oxocyclohexane-1-carbonyl-CoA
Property Insights of 2-hydroxy-6-oxocyclohexane-1-carbonyl-CoA
The XLogP value of -1.6052 indicates that 2-hydroxy-6-oxocyclohexane-1-carbonyl-CoA is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 400.93 Ų indicates high polarity, suggesting 2-hydroxy-6-oxocyclohexane-1-carbonyl-CoA may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-hydroxy-6-oxocyclohexane-1-carbonyl-CoA has 10 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-hydroxy-6-oxocyclohexane-1-carbonyl-CoA?
The CAS number of 2-hydroxy-6-oxocyclohexane-1-carbonyl-CoA is 958766-66-0.
What is the molecular formula of 2-hydroxy-6-oxocyclohexane-1-carbonyl-CoA?
The molecular formula of 2-hydroxy-6-oxocyclohexane-1-carbonyl-CoA is C28H44N7O19P3S.
What is the molecular weight of 2-hydroxy-6-oxocyclohexane-1-carbonyl-CoA?
The molecular weight of 2-hydroxy-6-oxocyclohexane-1-carbonyl-CoA is 907.16 g/mol.
Where can I buy 2-hydroxy-6-oxocyclohexane-1-carbonyl-CoA?
You can request a quote for 2-hydroxy-6-oxocyclohexane-1-carbonyl-CoA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-hydroxy-6-oxocyclohexane-1-carbonyl-CoA?
Yes, KEHONG BIO provides custom synthesis services for 2-hydroxy-6-oxocyclohexane-1-carbonyl-CoA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.