Isobutyryl Coenzyme A, Free acid
TL;DR: Isobutyryl Coenzyme A, Free acid (CAS 15621-60-0) is a chemical compound with molecular formula C25H42N7O17P3S and molecular weight 837.1571 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] 2-methylpropanethioate
Also Known As: isobutyryl-coenzyme A, Isobutyryl Coenzyme A, Free acid, Isobutyryl Coenzyme A (sodium salt), Isobutyryl-CoA (unspecified stereochemistry), s-{1-[5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} 2-methylpropanethioate(non-preferred name)
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C25H42N7O17P3S |
| Molecular Weight | 837.1571 g/mol |
| XLogP | -4.6 |
| Topological Polar Surface Area (TPSA) | 389.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 21 |
| Exact Mass | 837.1571 Da |
| Heavy Atoms | 53 |
| Complexity | 1430.0 |
| SMILES | CC(C)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O |
| InChIKey | AEWHYWSPVRZHCT-UHFFFAOYSA-N |
Chemical Property Profile of Isobutyryl Coenzyme A, Free acid
Property Insights of Isobutyryl Coenzyme A, Free acid
The XLogP value of -4.6 indicates that Isobutyryl Coenzyme A, Free acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 389.0 Ų indicates high polarity, suggesting Isobutyryl Coenzyme A, Free acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Isobutyryl Coenzyme A, Free acid has 9 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 Isobutyryl Coenzyme A, Free acid?
The CAS number of Isobutyryl Coenzyme A, Free acid is 15621-60-0.
What is the molecular formula of Isobutyryl Coenzyme A, Free acid?
The molecular formula of Isobutyryl Coenzyme A, Free acid is C25H42N7O17P3S.
What is the molecular weight of Isobutyryl Coenzyme A, Free acid?
The molecular weight of Isobutyryl Coenzyme A, Free acid is 837.1571 g/mol.
Where can I buy Isobutyryl Coenzyme A, Free acid?
You can request a quote for Isobutyryl Coenzyme A, Free acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isobutyryl Coenzyme A, Free acid?
Yes, CoreyChem provides custom synthesis services for Isobutyryl Coenzyme A, Free acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.