5-Methylhex-4-enoyl-CoA
TL;DR: 5-Methylhex-4-enoyl-CoA (CAS 1097969-46-4) is a chemical compound with molecular formula C28H46N7O17P3S and molecular weight 877.18835 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
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] 5-methylhex-4-enethioate
Also Known As: 5-Methylhex-4-enoyl-CoA, c1136, 5-Methylhex-4-enoyl-CoA; (Acyl-CoA); [M+H]+;
Technical Specifications
| Molecular Formula | C28H46N7O17P3S |
| Molecular Weight | 877.18835 g/mol |
| XLogP | -3.7 |
| Topological Polar Surface Area (TPSA) | 389.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 23 |
| Exact Mass | 877.18835 Da |
| Heavy Atoms | 56 |
| Complexity | 1540.0 |
| SMILES | CC(=CCCC(=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)C |
| InChIKey | BEYYLHUMFMWPLH-SVHODSNWSA-N |
Chemical Property Profile of 5-Methylhex-4-enoyl-CoA
Property Insights of 5-Methylhex-4-enoyl-CoA
The XLogP value of -3.7 indicates that 5-Methylhex-4-enoyl-CoA is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 389.0 Ų indicates high polarity, suggesting 5-Methylhex-4-enoyl-CoA may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-Methylhex-4-enoyl-CoA has 9 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 5-Methylhex-4-enoyl-CoA?
The CAS number of 5-Methylhex-4-enoyl-CoA is 1097969-46-4.
What is the molecular formula of 5-Methylhex-4-enoyl-CoA?
The molecular formula of 5-Methylhex-4-enoyl-CoA is C28H46N7O17P3S.
What is the molecular weight of 5-Methylhex-4-enoyl-CoA?
The molecular weight of 5-Methylhex-4-enoyl-CoA is 877.18835 g/mol.
Where can I buy 5-Methylhex-4-enoyl-CoA?
You can request a quote for 5-Methylhex-4-enoyl-CoA directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Methylhex-4-enoyl-CoA?
Yes, CoreyChem provides custom synthesis services for 5-Methylhex-4-enoyl-CoA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.