Coenzyme A, S-(2E,4Z)-2,4-decadienoate
TL;DR: Coenzyme A, S-(2E,4Z)-2,4-decadienoate (CAS 79315-17-6) 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] (2E,4Z)-deca-2,4-dienethioate
Also Known As: 2-trans-4-cis-decadienoyl-CoA, 2,4-Decadienoyl-CoA, 2,4-Decadienoyl-coenzyme A, 2-trans,4-cis-Decadienoyl-CoA, 2E,4Z-decadienoyl-CoA
| Molecular Formula | C31H50N7O17P3S |
|---|---|
| Molecular Weight | 917.22 g/mol |
| LogP | 1.3574 |
| Topological Polar Surface Area | 363.63 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 25 |
| Exact Mass | 917.21967 |
| Heavy Atoms | 59 |
| Complexity | 1946.9689 |
Chemical Identifiers
| CAS Number | 79315-17-6 |
|---|---|
| SMILES | CCCCC/C=C\C=C\C(=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 |
Product Overview
Coenzyme A, S-(2E,4Z)-2,4-decadienoate (CAS 79315-17-6), 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] (2E,4Z)-deca-2,4-dienethioate.
Chemical Property Profile of Coenzyme A, S-(2E,4Z)-2,4-decadienoate
Property Insights of Coenzyme A, S-(2E,4Z)-2,4-decadienoate
The XLogP value of 1.3574 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Coenzyme A, S-(2E,4Z)-2,4-decadienoate. The TPSA of 363.63 Ų indicates high polarity, suggesting Coenzyme A, S-(2E,4Z)-2,4-decadienoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Coenzyme A, S-(2E,4Z)-2,4-decadienoate 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 Coenzyme A, S-(2E,4Z)-2,4-decadienoate?
The CAS number of Coenzyme A, S-(2E,4Z)-2,4-decadienoate is 79315-17-6.
What is the molecular formula of Coenzyme A, S-(2E,4Z)-2,4-decadienoate?
The molecular formula of Coenzyme A, S-(2E,4Z)-2,4-decadienoate is C31H50N7O17P3S.
What is the molecular weight of Coenzyme A, S-(2E,4Z)-2,4-decadienoate?
The molecular weight of Coenzyme A, S-(2E,4Z)-2,4-decadienoate is 917.22 g/mol.
Where can I buy Coenzyme A, S-(2E,4Z)-2,4-decadienoate?
You can request a quote for Coenzyme A, S-(2E,4Z)-2,4-decadienoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Coenzyme A, S-(2E,4Z)-2,4-decadienoate?
Yes, KEHONG BIO provides custom synthesis services for Coenzyme A, S-(2E,4Z)-2,4-decadienoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.