dec-2-ynoyl-coenzyme A
TL;DR: dec-2-ynoyl-coenzyme A (CAS 105528-05-0) is a chemical compound with molecular formula C31H50N7O17P3S and molecular weight 917.22 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] dec-2-ynethioate
Also Known As: 2-Decynoyl-coa, Dec-2-ynoyl-coenzyme A, Coenzyme A, dec-2-ynoyl-, Coenzyme A, S-2-decynoate, 2-Decynoyl-CoA; (Acyl-CoA); [M+H]+;
| Molecular Formula | C31H50N7O17P3S |
|---|---|
| Molecular Weight | 917.22 g/mol |
| LogP | -1.5 |
| Topological Polar Surface Area | 389.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 25 |
| Exact Mass | 917.21967 |
| Heavy Atoms | 59 |
| Complexity | 1630.0 |
Chemical Identifiers
| CAS Number | 105528-05-0 |
|---|---|
| SMILES | CCCCCCCC#CC(=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 | CEGGBBHEUBHATI-HSJNEKGZSA-N |
Product Overview
dec-2-ynoyl-coenzyme A (CAS 105528-05-0), with molecular formula C31H50N7O17P3S and molecular weight 917.22 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] dec-2-ynethioate.
Chemical Property Profile of dec-2-ynoyl-coenzyme A
Property Insights of dec-2-ynoyl-coenzyme A
The XLogP value of -1.5 indicates that dec-2-ynoyl-coenzyme A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 389.0 Ų indicates high polarity, suggesting dec-2-ynoyl-coenzyme A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, dec-2-ynoyl-coenzyme 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 dec-2-ynoyl-coenzyme A?
The CAS number of dec-2-ynoyl-coenzyme A is 105528-05-0.
What is the molecular formula of dec-2-ynoyl-coenzyme A?
The molecular formula of dec-2-ynoyl-coenzyme A is C31H50N7O17P3S.
What is the molecular weight of dec-2-ynoyl-coenzyme A?
The molecular weight of dec-2-ynoyl-coenzyme A is 917.22 g/mol.
Where can I buy dec-2-ynoyl-coenzyme A?
You can request a quote for dec-2-ynoyl-coenzyme A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dec-2-ynoyl-coenzyme A?
Yes, KEHONG BIO provides custom synthesis services for dec-2-ynoyl-coenzyme A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.