己酰辅酶A
TL;DR: 己酰辅酶A (CAS 5060-32-2) is a chemical compound with molecular formula C27H46N7O17P3S and molecular weight 865.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
己酰辅酶A
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] hexanethioate
Also Known As: Hexanoyl-CoA, hexanoyl-coenzyme a, Hexanoyl Coenzyme A, Free 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] hexanethioate
| Molecular Formula | C27H46N7O17P3S |
|---|---|
| Molecular Weight | 865.19 g/mol |
| LogP | -3.7 |
| Topological Polar Surface Area | 389.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 24 |
| Exact Mass | 865.18835 |
| Heavy Atoms | 55 |
| Complexity | 1450.0 |
Chemical Identifiers
| CAS Number | 5060-32-2 |
|---|---|
| SMILES | CCCCCC(=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 | OEXFMSFODMQEPE-UHFFFAOYSA-N |
Product Overview
己酰辅酶A (CAS 5060-32-2), with molecular formula C27H46N7O17P3S and molecular weight 865.19 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] hexanethioate.
Chemical Property Profile of 己酰辅酶A
Property Insights of 己酰辅酶A
The XLogP value of -3.7 indicates that 己酰辅酶A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 389.0 Ų indicates high polarity, suggesting 己酰辅酶A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Hexanoyl 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
Frequently Asked Questions
What is the CAS number of Hexanoyl Coenzyme A, Free acid?
The CAS number of Hexanoyl Coenzyme A, Free acid is 5060-32-2.
What is the molecular formula of Hexanoyl Coenzyme A, Free acid?
The molecular formula of Hexanoyl Coenzyme A, Free acid is C27H46N7O17P3S.
What is the molecular weight of Hexanoyl Coenzyme A, Free acid?
The molecular weight of Hexanoyl Coenzyme A, Free acid is 865.19 g/mol.
Where can I buy Hexanoyl Coenzyme A, Free acid?
You can request a quote for Hexanoyl Coenzyme A, Free acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexanoyl Coenzyme A, Free acid?
Yes, KEHONG BIO provides custom synthesis services for Hexanoyl Coenzyme A, Free acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.