苹果酰辅酶A
TL;DR: 苹果酰辅酶A (CAS 2043-93-8) is a chemical compound with molecular formula C25H40N7O20P3S and molecular weight 883.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苹果酰辅酶A
4-[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]-2-hydroxy-4-oxobutanoic acid
Also Known As: Malyl-coenzyme A, Coenzyme A, malyl-, malyl-CoA, Malyl-coenzymeA, KST-1B1611
| Molecular Formula | C25H40N7O20P3S |
|---|---|
| Molecular Weight | 883.13 g/mol |
| LogP | -6.8 |
| Topological Polar Surface Area | 446.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 25 |
| Rotatable Bonds | 23 |
| Exact Mass | 883.12616 |
| Heavy Atoms | 56 |
| Complexity | 1550.0 |
Chemical Identifiers
| CAS Number | 2043-93-8 |
|---|---|
| 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)CC(C(=O)O)O)O |
| InChIKey | HJQWLHMLMCDAEL-UHFFFAOYSA-N |
Product Overview
苹果酰辅酶A (CAS 2043-93-8), with molecular formula C25H40N7O20P3S and molecular weight 883.13 g/mol. IUPAC: 4-[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]-2-hydroxy-4-oxobutanoic acid.
Chemical Property Profile of 苹果酰辅酶A
Property Insights of 苹果酰辅酶A
The XLogP value of -6.8 indicates that 苹果酰辅酶A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 446.0 Ų indicates high polarity, suggesting 苹果酰辅酶A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 苹果酰辅酶A has 11 hydrogen bond donor(s) and 25 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 苹果酰辅酶A?
The CAS number of 苹果酰辅酶A is 2043-93-8.
What is the molecular formula of 苹果酰辅酶A?
The molecular formula of 苹果酰辅酶A is C25H40N7O20P3S.
What is the molecular weight of 苹果酰辅酶A?
The molecular weight of 苹果酰辅酶A is 883.13 g/mol.
Where can I buy 苹果酰辅酶A?
You can request a quote for 苹果酰辅酶A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苹果酰辅酶A?
Yes, KEHONG BIO provides custom synthesis services for 苹果酰辅酶A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.