Acetyldithio-coenzyme A
TL;DR: Acetyldithio-coenzyme A (CAS 113947-51-6) is a chemical compound with molecular formula C23H38N7O16P3S2 and molecular weight 825.1029 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
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 ethanedithioate
Also Known As: Acetyldithio-coa, Acetyldithio-coenzyme A, Ac(S)Coa, Coenzyme A, acetyldithio-, Coenzyme A, S-ethanedithioate
Technical Specifications
| Molecular Formula | C23H38N7O16P3S2 |
| Molecular Weight | 825.1029 g/mol |
| XLogP | -5.0 |
| Topological Polar Surface Area (TPSA) | 404.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 20 |
| Exact Mass | 825.1029 Da |
| Heavy Atoms | 51 |
| Complexity | 1380.0 |
| SMILES | CC(=S)SCCNC(=O)CCNC(=O)[C@@H](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 | ILDXFYGFXOQPHK-ZSJPKINUSA-N |
Product Description
Applications: Acetyldithio-coenzyme A is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Acetyldithio-coenzyme A (CAS 113947-51-6) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Acetyldithio-coenzyme A (CAS 113947-51-6) is a fine chemical with the molecular formula C23H38N7O16P3S2 and a molecular weight of 825.1 g/mol. It is also known as Acetyldithio-coa and Acetyldithio-coenzyme A.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Acetyldithio-coenzyme A
Property Insights of Acetyldithio-coenzyme A
The XLogP value of -5.0 indicates that Acetyldithio-coenzyme A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 404.0 Ų indicates high polarity, suggesting Acetyldithio-coenzyme A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Acetyldithio-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 Acetyldithio-coenzyme A?
The CAS number of Acetyldithio-coenzyme A is 113947-51-6.
What is the molecular formula of Acetyldithio-coenzyme A?
The molecular formula of Acetyldithio-coenzyme A is C23H38N7O16P3S2.
What is the molecular weight of Acetyldithio-coenzyme A?
The molecular weight of Acetyldithio-coenzyme A is 825.1029 g/mol.
What are the applications of Acetyldithio-coenzyme A?
Acetyldithio-coenzyme A is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Acetyldithio-coenzyme A (CAS 113947-51-6) with custom synthesis available from milligram to multi-kilogram scale, supported by...
Where can I buy Acetyldithio-coenzyme A?
You can request a quote for Acetyldithio-coenzyme A directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Acetyldithio-coenzyme A?
Yes, CoreyChem provides custom synthesis services for Acetyldithio-coenzyme A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.