硬脂酰辅酶A
TL;DR: 硬脂酰辅酶A (CAS 362-66-3) is a chemical compound with molecular formula C39H70N7O17P3S and molecular weight 1033.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硬脂酰辅酶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] octadecanethioate
Also Known As: stearyl-CoA, Stearoyl coenzyme A, Stearoyl-coenzyme A, Octadecanoyl coenzyme A, Stearoyl Coenzyme A, Free acid
| Molecular Formula | C39H70N7O17P3S |
|---|---|
| Molecular Weight | 1033.38 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 389.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 36 |
| Exact Mass | 1033.3762 |
| Heavy Atoms | 67 |
| Complexity | 1660.0 |
Chemical Identifiers
| CAS Number | 362-66-3 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=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 | SIARJEKBADXQJG-UHFFFAOYSA-N |
Product Overview
硬脂酰辅酶A (CAS 362-66-3), with molecular formula C39H70N7O17P3S and molecular weight 1033.38 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] octadecanethioate.
Chemical Property Profile of 硬脂酰辅酶A
Property Insights of 硬脂酰辅酶A
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 硬脂酰辅酶A. The TPSA of 389.0 Ų indicates high polarity, suggesting 硬脂酰辅酶A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 硬脂酰辅酶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 硬脂酰辅酶A?
The CAS number of 硬脂酰辅酶A is 362-66-3.
What is the molecular formula of 硬脂酰辅酶A?
The molecular formula of 硬脂酰辅酶A is C39H70N7O17P3S.
What is the molecular weight of 硬脂酰辅酶A?
The molecular weight of 硬脂酰辅酶A is 1033.38 g/mol.
Where can I buy 硬脂酰辅酶A?
You can request a quote for 硬脂酰辅酶A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硬脂酰辅酶A?
Yes, KEHONG BIO provides custom synthesis services for 硬脂酰辅酶A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.