S-Acetyl-3-mercaptopropanoyl-coa
TL;DR: S-Acetyl-3-mercaptopropanoyl-coa (CAS 5446-12-8) is a chemical compound with molecular formula C26H42N7O18P3S2 and molecular weight 897.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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-acetylsulfanylpropanethioate
Also Known As: S-Acetyl-3-mercaptopropanoyl-coa, S-Acetyl-3-mercaptopropanoyl-coenzyme A, Coenzyme A, S-acetyl-3-mercaptopropanoyl-, S-[3-(Acetylthio)propanoate]-CoA, Propanoic acid,3-[(1-oxohexyl)thio]
| Molecular Formula | C26H42N7O18P3S2 |
|---|---|
| Molecular Weight | 897.12 g/mol |
| LogP | -5.2 |
| Topological Polar Surface Area | 431.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 24 |
| Rotatable Bonds | 24 |
| Exact Mass | 897.1241 |
| Heavy Atoms | 56 |
| Complexity | 1530.0 |
Chemical Identifiers
| CAS Number | 5446-12-8 |
|---|---|
| SMILES | CC(=O)SCCC(=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 | TYVMQOGIOUYOGO-UHFFFAOYSA-N |
Product Overview
S-Acetyl-3-mercaptopropanoyl-coa (CAS 5446-12-8), with molecular formula C26H42N7O18P3S2 and molecular weight 897.12 g/mol. IUPAC: 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-acetylsulfanylpropanethioate.
Chemical Property Profile of S-Acetyl-3-mercaptopropanoyl-coa
Property Insights of S-Acetyl-3-mercaptopropanoyl-coa
The XLogP value of -5.2 indicates that S-Acetyl-3-mercaptopropanoyl-coa is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 431.0 Ų indicates high polarity, suggesting S-Acetyl-3-mercaptopropanoyl-coa may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, S-Acetyl-3-mercaptopropanoyl-coa has 9 hydrogen bond donor(s) and 24 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of S-Acetyl-3-mercaptopropanoyl-coa?
The CAS number of S-Acetyl-3-mercaptopropanoyl-coa is 5446-12-8.
What is the molecular formula of S-Acetyl-3-mercaptopropanoyl-coa?
The molecular formula of S-Acetyl-3-mercaptopropanoyl-coa is C26H42N7O18P3S2.
What is the molecular weight of S-Acetyl-3-mercaptopropanoyl-coa?
The molecular weight of S-Acetyl-3-mercaptopropanoyl-coa is 897.12 g/mol.
Where can I buy S-Acetyl-3-mercaptopropanoyl-coa?
You can request a quote for S-Acetyl-3-mercaptopropanoyl-coa directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-Acetyl-3-mercaptopropanoyl-coa?
Yes, KEHONG BIO provides custom synthesis services for S-Acetyl-3-mercaptopropanoyl-coa and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.