Cyclohexanoyl CoA;Cyclohexanecarboxyl-CoA
TL;DR: Cyclohexanoyl CoA;Cyclohexanecarboxyl-CoA (CAS 5960-12-3) is a chemical compound with molecular formula C28H46N7O17P3S and molecular weight 877.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] cyclohexanecarbothioate
Also Known As: Cyclohexanoyl Coenzyme A, Cyclohexanoyl-Coenzyme A, Cyclohexanecarboxyl-coenzyme A, Cyclohexanoyl CoA;Cyclohexanecarboxyl-CoA, Cyclohexanecarboxyl-coenzyme A; (Acyl-CoA); [M+H]+;
| Molecular Formula | C28H46N7O17P3S |
|---|---|
| Molecular Weight | 877.19 g/mol |
| LogP | 0.245 |
| Topological Polar Surface Area | 363.63 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 20 |
| Exact Mass | 877.18835 |
| Heavy Atoms | 56 |
| Complexity | 1844.1046 |
Chemical Identifiers
| CAS Number | 5960-12-3 |
|---|---|
| SMILES | CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)C4CCCCC4)O |
Product Overview
Cyclohexanoyl CoA;Cyclohexanecarboxyl-CoA (CAS 5960-12-3), with molecular formula C28H46N7O17P3S and molecular weight 877.19 g/mol. IUPAC: S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] cyclohexanecarbothioate.
Chemical Property Profile of Cyclohexanoyl CoA;Cyclohexanecarboxyl-CoA
Property Insights of Cyclohexanoyl CoA;Cyclohexanecarboxyl-CoA
The XLogP value of 0.245 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclohexanoyl CoA;Cyclohexanecarboxyl-CoA. The TPSA of 363.63 Ų indicates high polarity, suggesting Cyclohexanoyl CoA;Cyclohexanecarboxyl-CoA may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cyclohexanoyl CoA;Cyclohexanecarboxyl-CoA has 9 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cyclohexanoyl CoA;Cyclohexanecarboxyl-CoA?
The CAS number of Cyclohexanoyl CoA;Cyclohexanecarboxyl-CoA is 5960-12-3.
What is the molecular formula of Cyclohexanoyl CoA;Cyclohexanecarboxyl-CoA?
The molecular formula of Cyclohexanoyl CoA;Cyclohexanecarboxyl-CoA is C28H46N7O17P3S.
What is the molecular weight of Cyclohexanoyl CoA;Cyclohexanecarboxyl-CoA?
The molecular weight of Cyclohexanoyl CoA;Cyclohexanecarboxyl-CoA is 877.19 g/mol.
Where can I buy Cyclohexanoyl CoA;Cyclohexanecarboxyl-CoA?
You can request a quote for Cyclohexanoyl CoA;Cyclohexanecarboxyl-CoA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexanoyl CoA;Cyclohexanecarboxyl-CoA?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexanoyl CoA;Cyclohexanecarboxyl-CoA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.