1-O-octyl-2-heptylphosphonylglycero-3-phosphoethanolamine
TL;DR: 1-O-octyl-2-heptylphosphonylglycero-3-phosphoethanolamine (CAS 120411-63-4) is a chemical compound with molecular formula C20H45NO8P2 and molecular weight 489.26205 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-octoxypropan-2-yl]oxy-heptylphosphinic acid
Also Known As: Dic(8)(2Ph)PE, 1-O-Octyl-2-heptylphosphonylglycero-3-phosphoethanolamine, 1-O-OCTYL-2-HEPTYLPHOSPHONYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, L-1-O-Octyl-2-heptylphosphonyl-sn-glycero-3-phosphoethanolamine, [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-octoxypropan-2-yl]oxy-heptylphosphinic acid
Technical Specifications
| Molecular Formula | C20H45NO8P2 |
| Molecular Weight | 489.26205 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 138.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 23 |
| Exact Mass | 489.26205 Da |
| Heavy Atoms | 31 |
| Complexity | 510.0 |
| SMILES | CCCCCCCCOC[C@H](COP(=O)(O)OCCN)OP(=O)(CCCCCCC)O |
| InChIKey | RCCNUBYROFOKAU-HXUWFJFHSA-N |
Chemical Property Profile of 1-O-octyl-2-heptylphosphonylglycero-3-phosphoethanolamine
Property Insights of 1-O-octyl-2-heptylphosphonylglycero-3-phosphoethanolamine
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-O-octyl-2-heptylphosphonylglycero-3-phosphoethanolamine. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-O-octyl-2-heptylphosphonylglycero-3-phosphoethanolamine. Following Lipinski's Rule of Five, 1-O-octyl-2-heptylphosphonylglycero-3-phosphoethanolamine has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-O-octyl-2-heptylphosphonylglycero-3-phosphoethanolamine?
The CAS number of 1-O-octyl-2-heptylphosphonylglycero-3-phosphoethanolamine is 120411-63-4.
What is the molecular formula of 1-O-octyl-2-heptylphosphonylglycero-3-phosphoethanolamine?
The molecular formula of 1-O-octyl-2-heptylphosphonylglycero-3-phosphoethanolamine is C20H45NO8P2.
What is the molecular weight of 1-O-octyl-2-heptylphosphonylglycero-3-phosphoethanolamine?
The molecular weight of 1-O-octyl-2-heptylphosphonylglycero-3-phosphoethanolamine is 489.26205 g/mol.
Where can I buy 1-O-octyl-2-heptylphosphonylglycero-3-phosphoethanolamine?
You can request a quote for 1-O-octyl-2-heptylphosphonylglycero-3-phosphoethanolamine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-O-octyl-2-heptylphosphonylglycero-3-phosphoethanolamine?
Yes, CoreyChem provides custom synthesis services for 1-O-octyl-2-heptylphosphonylglycero-3-phosphoethanolamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.