3-indolepropionyl-coenzyme A
TL;DR: 3-indolepropionyl-coenzyme A (CAS 144319-97-1) is a chemical compound with molecular formula C32H45N8O17P3S and molecular weight 938.1836 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
S-[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] 3-(1H-indol-3-yl)propanethioate
Also Known As: IPCoA, 3-Indolepropionyl-coenzyme A, 3-Indolepropionyl-CoA, 3-Indolepropionyl CoA, Coenzyme A, 3-indolepropionyl
Technical Specifications
| Molecular Formula | C32H45N8O17P3S |
| Molecular Weight | 938.1836 g/mol |
| XLogP | -3.6 |
| Topological Polar Surface Area (TPSA) | 405.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 23 |
| Exact Mass | 938.1836 Da |
| Heavy Atoms | 61 |
| Complexity | 1670.0 |
| 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@H](C(=O)NCCC(=O)NCCSC(=O)CCC4=CNC5=CC=CC=C54)O |
| InChIKey | IXFKVXFSQBQASQ-GRBGHKMPSA-N |
Chemical Property Profile of 3-indolepropionyl-coenzyme A
Property Insights of 3-indolepropionyl-coenzyme A
The XLogP value of -3.6 indicates that 3-indolepropionyl-coenzyme A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 405.0 Ų indicates high polarity, suggesting 3-indolepropionyl-coenzyme A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-indolepropionyl-coenzyme A has 10 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 3-indolepropionyl-coenzyme A?
The CAS number of 3-indolepropionyl-coenzyme A is 144319-97-1.
What is the molecular formula of 3-indolepropionyl-coenzyme A?
The molecular formula of 3-indolepropionyl-coenzyme A is C32H45N8O17P3S.
What is the molecular weight of 3-indolepropionyl-coenzyme A?
The molecular weight of 3-indolepropionyl-coenzyme A is 938.1836 g/mol.
Where can I buy 3-indolepropionyl-coenzyme A?
You can request a quote for 3-indolepropionyl-coenzyme A directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-indolepropionyl-coenzyme A?
Yes, CoreyChem provides custom synthesis services for 3-indolepropionyl-coenzyme A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.