docosanoyl-CoA
TL;DR: docosanoyl-CoA (CAS 24330-89-0) is a chemical compound with molecular formula C43H78N7O17P3S and molecular weight 1089.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] docosanethioate
Also Known As: Behenyl-coenzyme A, Behenoyl-CoA, Docosanoyl-CoA, Behenyl-coa, behenyl CoA
| Molecular Formula | C43H78N7O17P3S |
|---|---|
| Molecular Weight | 1089.44 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 389.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 40 |
| Exact Mass | 1089.4387 |
| Heavy Atoms | 71 |
| Complexity | 1730.0 |
Chemical Identifiers
| CAS Number | 24330-89-0 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O |
| InChIKey | NDDZLVOCGALPLR-GNSUAQHMSA-N |
Product Overview
docosanoyl-CoA (CAS 24330-89-0), with molecular formula C43H78N7O17P3S and molecular weight 1089.44 g/mol. IUPAC: S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] docosanethioate.
Chemical Property Profile of docosanoyl-CoA
Property Insights of docosanoyl-CoA
The XLogP value of 4.9 indicates that docosanoyl-CoA is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 389.0 Ų indicates high polarity, suggesting docosanoyl-CoA may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, docosanoyl-CoA 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 docosanoyl-CoA?
The CAS number of docosanoyl-CoA is 24330-89-0.
What is the molecular formula of docosanoyl-CoA?
The molecular formula of docosanoyl-CoA is C43H78N7O17P3S.
What is the molecular weight of docosanoyl-CoA?
The molecular weight of docosanoyl-CoA is 1089.44 g/mol.
Where can I buy docosanoyl-CoA?
You can request a quote for docosanoyl-CoA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for docosanoyl-CoA?
Yes, KEHONG BIO provides custom synthesis services for docosanoyl-CoA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.