3-Hydroxyoctadecanoyl-coenzyme A
TL;DR: 3-Hydroxyoctadecanoyl-coenzyme A (CAS 5421-22-7) is a chemical compound with molecular formula C39H70N7O18P3S and molecular weight 1049.37 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] 3-hydroxyoctadecanethioate
Also Known As: beta-Hydroxystearyl-coa, 3-Hydroxyoctadecanoyl-coa, beta-Hydroxystearoyl-coa, 3-Hydroxyoctadecanoyl-coenzyme A, Beta-hydroxy stearyl-CoA
| Molecular Formula | C39H70N7O18P3S |
|---|---|
| Molecular Weight | 1049.37 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 409.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 23 |
| Rotatable Bonds | 36 |
| Exact Mass | 1049.3711 |
| Heavy Atoms | 68 |
| Complexity | 1690.0 |
Chemical Identifiers
| CAS Number | 5421-22-7 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(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)O |
| InChIKey | WZMAIEGYXCOYSH-UHFFFAOYSA-N |
Product Overview
3-Hydroxyoctadecanoyl-coenzyme A (CAS 5421-22-7), with molecular formula C39H70N7O18P3S and molecular weight 1049.37 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-hydroxyoctadecanethioate.
Chemical Property Profile of 3-Hydroxyoctadecanoyl-coenzyme A
Property Insights of 3-Hydroxyoctadecanoyl-coenzyme A
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxyoctadecanoyl-coenzyme A. The TPSA of 409.0 Ų indicates high polarity, suggesting 3-Hydroxyoctadecanoyl-coenzyme A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-Hydroxyoctadecanoyl-coenzyme A has 10 hydrogen bond donor(s) and 23 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Hydroxyoctadecanoyl-coenzyme A?
The CAS number of 3-Hydroxyoctadecanoyl-coenzyme A is 5421-22-7.
What is the molecular formula of 3-Hydroxyoctadecanoyl-coenzyme A?
The molecular formula of 3-Hydroxyoctadecanoyl-coenzyme A is C39H70N7O18P3S.
What is the molecular weight of 3-Hydroxyoctadecanoyl-coenzyme A?
The molecular weight of 3-Hydroxyoctadecanoyl-coenzyme A is 1049.37 g/mol.
Where can I buy 3-Hydroxyoctadecanoyl-coenzyme A?
You can request a quote for 3-Hydroxyoctadecanoyl-coenzyme A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxyoctadecanoyl-coenzyme A?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxyoctadecanoyl-coenzyme A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.