S-(2-Oxopentadecyl)-coenzyme A
TL;DR: S-(2-Oxopentadecyl)-coenzyme A (CAS 121124-66-1) is a chemical compound with molecular formula C36H64N7O17P3S and molecular weight 991.3292 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[2-(2-oxopentadecylsulfanyl)ethylamino]propyl]amino]butyl] hydrogen phosphate
Also Known As: CNddA, S-(2-Oxopentadecyl)-coa, S-(2-Oxopentadecyl)-coenzyme A, Coenzyme A, S-(2-oxopentadecyl)-, S-(2-OXO)PENTADECYLCOA
Technical Specifications
| Molecular Formula | C36H64N7O17P3S |
| Molecular Weight | 991.3292 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 389.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 33 |
| Exact Mass | 991.3292 Da |
| Heavy Atoms | 64 |
| Complexity | 1610.0 |
| SMILES | CCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O |
| InChIKey | JKWHUJMJVNMKEF-UHFFFAOYSA-N |
Chemical Property Profile of S-(2-Oxopentadecyl)-coenzyme A
Property Insights of S-(2-Oxopentadecyl)-coenzyme A
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-(2-Oxopentadecyl)-coenzyme A. The TPSA of 389.0 Ų indicates high polarity, suggesting S-(2-Oxopentadecyl)-coenzyme A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, S-(2-Oxopentadecyl)-coenzyme A has 9 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of S-(2-Oxopentadecyl)-coenzyme A?
The CAS number of S-(2-Oxopentadecyl)-coenzyme A is 121124-66-1.
What is the molecular formula of S-(2-Oxopentadecyl)-coenzyme A?
The molecular formula of S-(2-Oxopentadecyl)-coenzyme A is C36H64N7O17P3S.
What is the molecular weight of S-(2-Oxopentadecyl)-coenzyme A?
The molecular weight of S-(2-Oxopentadecyl)-coenzyme A is 991.3292 g/mol.
Where can I buy S-(2-Oxopentadecyl)-coenzyme A?
You can request a quote for S-(2-Oxopentadecyl)-coenzyme A directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for S-(2-Oxopentadecyl)-coenzyme A?
Yes, CoreyChem provides custom synthesis services for S-(2-Oxopentadecyl)-coenzyme A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.