戊二酰辅酶A
TL;DR: 戊二酰辅酶A (CAS 3131-84-8) is a chemical compound with molecular formula C26H42N7O19P3S and molecular weight 881.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
戊二酰辅酶A
5-[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]ethylsulfanyl]-5-oxopentanoic acid
Also Known As: Glutaryl Coenzyme A, Free acid, 5-[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]ethylsulfanyl]-5-oxopentanoic acid
| Molecular Formula | C26H42N7O19P3S |
|---|---|
| Molecular Weight | 881.15 g/mol |
| LogP | -5.8 |
| Topological Polar Surface Area | 426.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 24 |
| Rotatable Bonds | 24 |
| Exact Mass | 881.1469 |
| Heavy Atoms | 56 |
| Complexity | 1530.0 |
Chemical Identifiers
| CAS Number | 3131-84-8 |
|---|---|
| SMILES | CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CCCC(=O)O)O |
| InChIKey | SYKWLIJQEHRDNH-UHFFFAOYSA-N |
Product Overview
戊二酰辅酶A (CAS 3131-84-8), with molecular formula C26H42N7O19P3S and molecular weight 881.15 g/mol. IUPAC: 5-[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]ethylsulfanyl]-5-oxopentanoic acid.
Chemical Property Profile of 戊二酰辅酶A
Property Insights of 戊二酰辅酶A
The XLogP value of -5.8 indicates that 戊二酰辅酶A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 426.0 Ų indicates high polarity, suggesting 戊二酰辅酶A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 戊二酰辅酶A has 10 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 戊二酰辅酶A?
The CAS number of 戊二酰辅酶A is 3131-84-8.
What is the molecular formula of 戊二酰辅酶A?
The molecular formula of 戊二酰辅酶A is C26H42N7O19P3S.
What is the molecular weight of 戊二酰辅酶A?
The molecular weight of 戊二酰辅酶A is 881.15 g/mol.
Where can I buy 戊二酰辅酶A?
You can request a quote for 戊二酰辅酶A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 戊二酰辅酶A?
Yes, KEHONG BIO provides custom synthesis services for 戊二酰辅酶A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.