2E-decenoyl-CoA
TL;DR: 2E-decenoyl-CoA (CAS 10018-95-8) is a chemical compound with molecular formula C31H52N7O17P3S and molecular weight 919.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[2-[3-[[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] (E)-dec-2-enethioate
Also Known As: 2E-decenoyl-CoA, (2E)-Decenoyl-CoA, trans-Dec-2-enoyl-CoA, (E)-S-2-decenoate, 2-trans-Decenoyl-CoA
| Molecular Formula | C31H52N7O17P3S |
|---|---|
| Molecular Weight | 919.24 g/mol |
| LogP | 1.5814 |
| Topological Polar Surface Area | 363.63 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 26 |
| Exact Mass | 919.23535 |
| Heavy Atoms | 59 |
| Complexity | 1899.884 |
Chemical Identifiers
| CAS Number | 10018-95-8 |
|---|---|
| SMILES | CCCCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)C(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
2E-decenoyl-CoA (CAS 10018-95-8), with molecular formula C31H52N7O17P3S and molecular weight 919.24 g/mol. IUPAC: S-[2-[3-[[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] (E)-dec-2-enethioate.
Chemical Property Profile of 2E-decenoyl-CoA
Property Insights of 2E-decenoyl-CoA
The XLogP value of 1.5814 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2E-decenoyl-CoA. The TPSA of 363.63 Ų indicates high polarity, suggesting 2E-decenoyl-CoA may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2E-decenoyl-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 2E-decenoyl-CoA?
The CAS number of 2E-decenoyl-CoA is 10018-95-8.
What is the molecular formula of 2E-decenoyl-CoA?
The molecular formula of 2E-decenoyl-CoA is C31H52N7O17P3S.
What is the molecular weight of 2E-decenoyl-CoA?
The molecular weight of 2E-decenoyl-CoA is 919.24 g/mol.
Where can I buy 2E-decenoyl-CoA?
You can request a quote for 2E-decenoyl-CoA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2E-decenoyl-CoA?
Yes, KEHONG BIO provides custom synthesis services for 2E-decenoyl-CoA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.