4-coumaroyl-CoA
TL;DR: 4-coumaroyl-CoA (CAS 119785-99-8) is a chemical compound with molecular formula C30H42N7O18P3S and molecular weight 913.152 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 3-(4-hydroxyphenyl)prop-2-enethioate
Also Known As: 4-coumaroyl-CoA, [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[3-hydroxy-3-[2-[2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]sulfanylethylcarbamoyl]ethylcarbamoyl]-2,2-dimethyl-propoxy]phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl]oxyphosphonic acid, S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 3-(4-hydroxyphenyl)prop-2-enethioate
Technical Specifications
| Molecular Formula | C30H42N7O18P3S |
| Molecular Weight | 913.152 g/mol |
| XLogP | -3.9 |
| Topological Polar Surface Area (TPSA) | 409.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 23 |
| Rotatable Bonds | 22 |
| Exact Mass | 913.152 Da |
| Heavy Atoms | 59 |
| Complexity | 1620.0 |
| SMILES | CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)C=CC4=CC=C(C=C4)O)O |
| InChIKey | DMZOKBALNZWDKI-UHFFFAOYSA-N |
Chemical Property Profile of 4-coumaroyl-CoA
Property Insights of 4-coumaroyl-CoA
The XLogP value of -3.9 indicates that 4-coumaroyl-CoA is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 409.0 Ų indicates high polarity, suggesting 4-coumaroyl-CoA may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-coumaroyl-CoA has 10 hydrogen bond donor(s) and 23 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 4-coumaroyl-CoA?
The CAS number of 4-coumaroyl-CoA is 119785-99-8.
What is the molecular formula of 4-coumaroyl-CoA?
The molecular formula of 4-coumaroyl-CoA is C30H42N7O18P3S.
What is the molecular weight of 4-coumaroyl-CoA?
The molecular weight of 4-coumaroyl-CoA is 913.152 g/mol.
Where can I buy 4-coumaroyl-CoA?
You can request a quote for 4-coumaroyl-CoA directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-coumaroyl-CoA?
Yes, CoreyChem provides custom synthesis services for 4-coumaroyl-CoA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.