Acrylyl-CoA
TL;DR: Acrylyl-CoA (CAS 5776-58-9) is a chemical compound with molecular formula C24H38N7O17P3S and molecular weight 821.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[2-[3-[[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] prop-2-enethioate
Also Known As: Acrylyl-CoA, Acryloyl-coenzyme A, Coenzyme A,S-2-propenoate, Acryloyl-CoA; (Acyl-CoA); [M+H]+;, J1.210.753F
| Molecular Formula | C24H38N7O17P3S |
|---|---|
| Molecular Weight | 821.13 g/mol |
| LogP | -5.0 |
| Topological Polar Surface Area | 389.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 21 |
| Exact Mass | 821.1258 |
| Heavy Atoms | 52 |
| Complexity | 1430.0 |
Chemical Identifiers
| CAS Number | 5776-58-9 |
|---|---|
| SMILES | CC(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)C(C(=O)NCCC(=O)NCCSC(=O)C=C)O |
| InChIKey | POODSGUMUCVRTR-UXYNFSPESA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acrylyl-CoA (CAS 5776-58-9), with molecular formula C24H38N7O17P3S and molecular weight 821.13 g/mol. IUPAC: S-[2-[3-[[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] prop-2-enethioate.
Chemical Property Profile of Acrylyl-CoA
Property Insights of Acrylyl-CoA
The XLogP value of -5.0 indicates that Acrylyl-CoA is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 389.0 Ų indicates high polarity, suggesting Acrylyl-CoA may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Acrylyl-CoA has 9 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Acrylyl-CoA?
The CAS number of Acrylyl-CoA is 5776-58-9.
What is the molecular formula of Acrylyl-CoA?
The molecular formula of Acrylyl-CoA is C24H38N7O17P3S.
What is the molecular weight of Acrylyl-CoA?
The molecular weight of Acrylyl-CoA is 821.13 g/mol.
Where can I buy Acrylyl-CoA?
You can request a quote for Acrylyl-CoA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acrylyl-CoA?
Yes, KEHONG BIO provides custom synthesis services for Acrylyl-CoA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.