3-indoleacryloyl-coenzyme A
TL;DR: 3-indoleacryloyl-coenzyme A (CAS 144319-98-2) is a chemical compound with molecular formula C32H43N8O17P3S and molecular weight 936.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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] (E)-3-(1H-indol-3-yl)prop-2-enethioate
Also Known As: IACoA, 3-Indoleacryloyl-coa, 3-Indoleacryloyl-coenzyme A, Coenzyme A, 3-indoleacryloyl, trans-3-Indoleacryloyl-coenzyme A
| Molecular Formula | C32H43N8O17P3S |
|---|---|
| Molecular Weight | 936.17 g/mol |
| LogP | 0.8594 |
| Topological Polar Surface Area | 379.42 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 21 |
| Exact Mass | 936.16797 |
| Heavy Atoms | 61 |
| Complexity | 2392.1262 |
Chemical Identifiers
| CAS Number | 144319-98-2 |
|---|---|
| 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)/C=C/C4=CNC5=CC=CC=C54)O |
Product Overview
3-indoleacryloyl-coenzyme A (CAS 144319-98-2), with molecular formula C32H43N8O17P3S and molecular weight 936.17 g/mol. IUPAC: 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] (E)-3-(1H-indol-3-yl)prop-2-enethioate.
Chemical Property Profile of 3-indoleacryloyl-coenzyme A
Property Insights of 3-indoleacryloyl-coenzyme A
The XLogP value of 0.8594 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-indoleacryloyl-coenzyme A. The TPSA of 379.42 Ų indicates high polarity, suggesting 3-indoleacryloyl-coenzyme A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-indoleacryloyl-coenzyme A has 10 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-indoleacryloyl-coenzyme A?
The CAS number of 3-indoleacryloyl-coenzyme A is 144319-98-2.
What is the molecular formula of 3-indoleacryloyl-coenzyme A?
The molecular formula of 3-indoleacryloyl-coenzyme A is C32H43N8O17P3S.
What is the molecular weight of 3-indoleacryloyl-coenzyme A?
The molecular weight of 3-indoleacryloyl-coenzyme A is 936.17 g/mol.
Where can I buy 3-indoleacryloyl-coenzyme A?
You can request a quote for 3-indoleacryloyl-coenzyme A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-indoleacryloyl-coenzyme A?
Yes, KEHONG BIO provides custom synthesis services for 3-indoleacryloyl-coenzyme A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.