18:1 Dimethyl PE
TL;DR: 18:1 Dimethyl PE (CAS 96687-22-8) is a chemical compound with molecular formula C43H82NO8P and molecular weight 771.58 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R)-3-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-2-[(Z)-octadec-9-enoyl]oxypropyl] (Z)-octadec-9-enoate
Also Known As: 18:1 Dimethyl PE, 1,2-Dioleoyl-sn-glycero-3-phosphoethanolamine-N,N-dimethyl, DMPE(18:1(9Z)/18:1(9Z)), N,N-Dimethyldioleoylphosphatidylethanolamine, J1.137.115I
| Molecular Formula | C43H82NO8P |
|---|---|
| Molecular Weight | 771.58 g/mol |
| LogP | 12.2116 |
| Topological Polar Surface Area | 111.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 40 |
| Exact Mass | 771.5778 |
| Heavy Atoms | 53 |
| Complexity | 941.2495 |
Chemical Identifiers
| CAS Number | 96687-22-8 |
|---|---|
| SMILES | CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC |
Product Overview
18:1 Dimethyl PE (CAS 96687-22-8), with molecular formula C43H82NO8P and molecular weight 771.58 g/mol. IUPAC: [(2R)-3-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-2-[(Z)-octadec-9-enoyl]oxypropyl] (Z)-octadec-9-enoate.
Chemical Property Profile of 18:1 Dimethyl PE
Property Insights of 18:1 Dimethyl PE
The XLogP value of 12.2116 indicates that 18:1 Dimethyl PE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 18:1 Dimethyl PE. Following Lipinski's Rule of Five, 18:1 Dimethyl PE has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 18:1 Dimethyl PE?
The CAS number of 18:1 Dimethyl PE is 96687-22-8.
What is the molecular formula of 18:1 Dimethyl PE?
The molecular formula of 18:1 Dimethyl PE is C43H82NO8P.
What is the molecular weight of 18:1 Dimethyl PE?
The molecular weight of 18:1 Dimethyl PE is 771.58 g/mol.
Where can I buy 18:1 Dimethyl PE?
You can request a quote for 18:1 Dimethyl PE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 18:1 Dimethyl PE?
Yes, KEHONG BIO provides custom synthesis services for 18:1 Dimethyl PE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.