5-(tetradecyloxy)-2-furoyl-coenzyme A
TL;DR: 5-(tetradecyloxy)-2-furoyl-coenzyme A (CAS 928-17-6) is a chemical compound with molecular formula C40H66N7O19P3S and molecular weight 1073.33 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] 5-tetradecoxyfuran-2-carbothioate
Also Known As: Tofyl-coa, 3-hydroxyhexadecanoic acid, 5-(Tetradecyloxy)-2-furoyl-coenzyme A, Coenzyme A, 5-(tetradecyloxy)-2-furoyl-, Tofyl-CoA; (Acyl-CoA); [M+H]+;
| Molecular Formula | C40H66N7O19P3S |
|---|---|
| Molecular Weight | 1073.33 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 411.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 24 |
| Rotatable Bonds | 35 |
| Exact Mass | 1073.3347 |
| Heavy Atoms | 70 |
| Complexity | 1780.0 |
Chemical Identifiers
| CAS Number | 928-17-6 |
|---|---|
| SMILES | CCCCCCCCCCCCCCOC1=CC=C(O1)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(O)O)O |
| InChIKey | NXAHLFOPZQJPNH-UHFFFAOYSA-N |
Product Overview
5-(tetradecyloxy)-2-furoyl-coenzyme A (CAS 928-17-6), with molecular formula C40H66N7O19P3S and molecular weight 1073.33 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] 5-tetradecoxyfuran-2-carbothioate.
Chemical Property Profile of 5-(tetradecyloxy)-2-furoyl-coenzyme A
Property Insights of 5-(tetradecyloxy)-2-furoyl-coenzyme A
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(tetradecyloxy)-2-furoyl-coenzyme A. The TPSA of 411.0 Ų indicates high polarity, suggesting 5-(tetradecyloxy)-2-furoyl-coenzyme A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-(tetradecyloxy)-2-furoyl-coenzyme A has 9 hydrogen bond donor(s) and 24 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-(tetradecyloxy)-2-furoyl-coenzyme A?
The CAS number of 5-(tetradecyloxy)-2-furoyl-coenzyme A is 928-17-6.
What is the molecular formula of 5-(tetradecyloxy)-2-furoyl-coenzyme A?
The molecular formula of 5-(tetradecyloxy)-2-furoyl-coenzyme A is C40H66N7O19P3S.
What is the molecular weight of 5-(tetradecyloxy)-2-furoyl-coenzyme A?
The molecular weight of 5-(tetradecyloxy)-2-furoyl-coenzyme A is 1073.33 g/mol.
Where can I buy 5-(tetradecyloxy)-2-furoyl-coenzyme A?
You can request a quote for 5-(tetradecyloxy)-2-furoyl-coenzyme A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(tetradecyloxy)-2-furoyl-coenzyme A?
Yes, KEHONG BIO provides custom synthesis services for 5-(tetradecyloxy)-2-furoyl-coenzyme A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.