Act-CoA
TL;DR: Act-CoA (CAS 121368-75-0) is a chemical compound with molecular formula C33H47IN11O19P3S2 and molecular weight 1185.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(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
| Molecular Formula | C33H47IN11O19P3S2 |
|---|---|
| Molecular Weight | 1185.07 g/mol |
| LogP | 2.025 |
| Topological Polar Surface Area | 461.72 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 29 |
| Exact Mass | 1185.0748 |
| Heavy Atoms | 69 |
| Complexity | 2490.95 |
Chemical Identifiers
| CAS Number | 121368-75-0 |
|---|---|
| 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 |
Product Overview
Act-CoA (CAS 121368-75-0), with molecular formula C33H47IN11O19P3S2 and molecular weight 1185.07 g/mol. IUPAC: (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.
Chemical Property Profile of Act-CoA
Property Insights of Act-CoA
The XLogP value of 2.025 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Act-CoA. The TPSA of 461.72 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 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
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 1185.07 g/mol.
Where can I buy Act-CoA?
You can request a quote for Act-CoA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Act-CoA?
Yes, KEHONG BIO provides custom synthesis services for Act-CoA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.