戊酰辅酶A
TL;DR: 戊酰辅酶A (CAS 4752-33-4) is a chemical compound with molecular formula C26H44N7O17P3S and molecular weight 851.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
戊酰辅酶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] 3-methylbutanethioate
Also Known As: isovaleryl-CoA, Valeryl-coa, Valeryl-coenzyme A, Coenzyme A, valeryl-, 3-methylbutyryl-CoA
| Molecular Formula | C26H44N7O17P3S |
|---|---|
| Molecular Weight | 851.17 g/mol |
| LogP | -4.3 |
| Topological Polar Surface Area | 389.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 22 |
| Exact Mass | 851.1727 |
| Heavy Atoms | 54 |
| Complexity | 1450.0 |
Chemical Identifiers
| CAS Number | 4752-33-4 |
|---|---|
| SMILES | CC(C)CC(=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 | UYVZIWWBJMYRCD-UHFFFAOYSA-N |
Product Overview
戊酰辅酶A (CAS 4752-33-4), with molecular formula C26H44N7O17P3S and molecular weight 851.17 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-methylbutanethioate.
Chemical Property Profile of 戊酰辅酶A
Property Insights of 戊酰辅酶A
The XLogP value of -4.3 indicates that 戊酰辅酶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 戊酰辅酶A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 戊酰辅酶A 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 戊酰辅酶A?
The CAS number of 戊酰辅酶A is 4752-33-4.
What is the molecular formula of 戊酰辅酶A?
The molecular formula of 戊酰辅酶A is C26H44N7O17P3S.
What is the molecular weight of 戊酰辅酶A?
The molecular weight of 戊酰辅酶A is 851.17 g/mol.
Where can I buy 戊酰辅酶A?
You can request a quote for 戊酰辅酶A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 戊酰辅酶A?
Yes, KEHONG BIO provides custom synthesis services for 戊酰辅酶A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.