trans,trans-2,4-hexadienoyl-CoA
TL;DR: trans,trans-2,4-hexadienoyl-CoA (CAS 6244-97-9) is a chemical compound with molecular formula C27H42N7O17P3S and molecular weight 861.16 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,4E)-hexa-2,4-dienethioate
Also Known As: Sorboyl-CoA, Sorbyl CoA, hexanoyl-coenzyme a, 2,4-Hexadienoyl CoA, 2,4-Hexadienoyl-CoA
| Molecular Formula | C27H42N7O17P3S |
|---|---|
| Molecular Weight | 861.16 g/mol |
| LogP | -0.203 |
| Topological Polar Surface Area | 363.63 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 21 |
| Exact Mass | 861.1571 |
| Heavy Atoms | 55 |
| Complexity | 1874.996 |
Chemical Identifiers
| CAS Number | 6244-97-9 |
|---|---|
| SMILES | C/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
trans,trans-2,4-hexadienoyl-CoA (CAS 6244-97-9), with molecular formula C27H42N7O17P3S and molecular weight 861.16 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,4E)-hexa-2,4-dienethioate.
Chemical Property Profile of trans,trans-2,4-hexadienoyl-CoA
Property Insights of trans,trans-2,4-hexadienoyl-CoA
The XLogP value of -0.203 indicates that trans,trans-2,4-hexadienoyl-CoA is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 363.63 Ų indicates high polarity, suggesting trans,trans-2,4-hexadienoyl-CoA may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, trans,trans-2,4-hexadienoyl-CoA 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 trans,trans-2,4-hexadienoyl-CoA?
The CAS number of trans,trans-2,4-hexadienoyl-CoA is 6244-97-9.
What is the molecular formula of trans,trans-2,4-hexadienoyl-CoA?
The molecular formula of trans,trans-2,4-hexadienoyl-CoA is C27H42N7O17P3S.
What is the molecular weight of trans,trans-2,4-hexadienoyl-CoA?
The molecular weight of trans,trans-2,4-hexadienoyl-CoA is 861.16 g/mol.
Where can I buy trans,trans-2,4-hexadienoyl-CoA?
You can request a quote for trans,trans-2,4-hexadienoyl-CoA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trans,trans-2,4-hexadienoyl-CoA?
Yes, KEHONG BIO provides custom synthesis services for trans,trans-2,4-hexadienoyl-CoA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.