Lauroyl Coenzyme A, Free acid
TL;DR: Lauroyl Coenzyme A, Free acid (CAS 799812-84-3) is a chemical compound with molecular formula C33H58N7O17P3S and molecular weight 949.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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] dodecanethioate
Also Known As: Lauroyl CoA, Dodecanoyl-coa, Lauroyl-coa, Lauroyl coenzyme A, Lauroyl-coenzyme A
| Molecular Formula | C33H58N7O17P3S |
|---|---|
| Molecular Weight | 949.28 g/mol |
| LogP | 2.5856 |
| Topological Polar Surface Area | 363.63 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 29 |
| Exact Mass | 949.2823 |
| Heavy Atoms | 61 |
| Complexity | 1888.7131 |
Chemical Identifiers
| CAS Number | 799812-84-3 |
|---|---|
| SMILES | CCCCCCCCCCCC(=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 |
Product Overview
Lauroyl Coenzyme A, Free acid (CAS 799812-84-3), with molecular formula C33H58N7O17P3S and molecular weight 949.28 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] dodecanethioate.
Chemical Property Profile of Lauroyl Coenzyme A, Free acid
Property Insights of Lauroyl Coenzyme A, Free acid
The XLogP value of 2.5856 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Lauroyl Coenzyme A, Free acid. The TPSA of 363.63 Ų indicates high polarity, suggesting Lauroyl Coenzyme A, Free acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Lauroyl Coenzyme A, Free acid has 9 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Lauroyl Coenzyme A, Free acid?
The CAS number of Lauroyl Coenzyme A, Free acid is 799812-84-3.
What is the molecular formula of Lauroyl Coenzyme A, Free acid?
The molecular formula of Lauroyl Coenzyme A, Free acid is C33H58N7O17P3S.
What is the molecular weight of Lauroyl Coenzyme A, Free acid?
The molecular weight of Lauroyl Coenzyme A, Free acid is 949.28 g/mol.
Where can I buy Lauroyl Coenzyme A, Free acid?
You can request a quote for Lauroyl 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 Lauroyl Coenzyme A, Free acid?
Yes, KEHONG BIO provides custom synthesis services for Lauroyl Coenzyme A, Free acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.