Act-CoA
TL;DR: Act-CoA (CAS 121368-75-0) is a chemical compound with molecular formula C33H47IN11O19P3S2 and molecular weight 1185.0748 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R)-3-[2-[3-[[(2R)-2-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]peroxy-hydroxyphosphoryl]-2-hydroxyacetyl]amino]propanoylamino]ethyldisulfanyl]-2-[3-(4-azido-3-iodophenyl)propanoylamino]heptanoic acid
Also Known As: Act-CoA, N-(3-Iodo-4-azidophenylpropionamido)cysteinyl-5-(2'-thiopyridyl)cysteine-coenzyme A, Coenzyme A, N-(3-iodo-4-azidophenylpropionamido)cysteinyl-5-(2'-thiopyridyl)cysteine-, (2R)-3-[2-[3-[[(2R)-2-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]peroxy-hydroxyphosphoryl]-2-hydroxyacetyl]amino]propanoylamino]ethyldisulfanyl]-2-[3-(4-azido-3-iodophenyl)propanoylamino]heptanoic acid, N-(3-iodo-4-azidophenylpropionamido)cysteinyl-5-(2/'-thiopyridyl)cysteine-coenzyme A
Technical Specifications
| Molecular Formula | C33H47IN11O19P3S2 |
| Molecular Weight | 1185.0748 g/mol |
| XLogP | -2.2 |
| Topological Polar Surface Area (TPSA) | 478.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 27 |
| Rotatable Bonds | 29 |
| Exact Mass | 1185.0748 Da |
| Heavy Atoms | 69 |
| Complexity | 1940.0 |
| SMILES | CCCCC([C@@H](C(=O)O)NC(=O)CCC1=CC(=C(C=C1)N=[N+]=[N-])I)SSCCNC(=O)CCNC(=O)[C@H](O)P(=O)(O)OOP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(O)O |
| InChIKey | INNXFTJYJFYUQJ-FLQPUNRMSA-N |
Product Description
Applications: Act-CoA is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Act-CoA (CAS 121368-75-0) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Act-CoA is a fine chemical identified by CAS number 121368-75-0 and the molecular formula C33H47IN11O19P3S2 and a molecular weight of 1185.07 g/mol. It is also known as Act-CoA and N-(3-Iodo-4-azidophenylpropionamido)cysteinyl-5-(2'-thiopyridyl)cysteine-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 Act-CoA
Property Insights of Act-CoA
The XLogP value of -2.2 indicates that Act-CoA is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 478.0 Ų indicates high polarity, suggesting Act-CoA may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Act-CoA has 11 hydrogen bond donor(s) and 27 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Act-CoA?
The CAS number of Act-CoA is 121368-75-0.
What is the molecular formula of Act-CoA?
The molecular formula of Act-CoA is C33H47IN11O19P3S2.
What is the molecular weight of Act-CoA?
The molecular weight of Act-CoA is 1185.0748 g/mol.
What are the applications of Act-CoA?
Act-CoA is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Act-CoA (CAS 121368-75-0) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Where can I buy Act-CoA?
You can request a quote for Act-CoA directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Act-CoA?
Yes, CoreyChem provides custom synthesis services for Act-CoA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.