rac-1-Hexadecyloxy-2-methoxypropyl-3-(2'-pyridylethyl) phosphonate
TL;DR: rac-1-Hexadecyloxy-2-methoxypropyl-3-(2'-pyridylethyl) phosphonate (CAS 84337-29-1) is a chemical compound with molecular formula C27H50NO6P and molecular weight 515.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-hexadecoxy-2-methoxypropyl) 2-pyridin-1-ium-1-ylethyl phosphate
Also Known As: Lipid analog, CP 77, rac-1-Hexadecyloxy-2-methoxypropyl-3-(2'-pyridylethyl) phosphonate, Pyridinium, 1-(4-hydroxy-7-methoxy-4-oxido-3,5,9-trioxa-4-phosphapentacos-1-yl)-, inner salt (1), (3-hexadecoxy-2-methoxypropyl) 2-pyridin-1-ium-1-ylethyl phosphate
| Molecular Formula | C27H50NO6P |
|---|---|
| Molecular Weight | 515.34 g/mol |
| LogP | 7.1 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 25 |
| Exact Mass | 515.3376 |
| Heavy Atoms | 35 |
| Complexity | 496.0 |
Chemical Identifiers
| CAS Number | 84337-29-1 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+]1=CC=CC=C1)OC |
| InChIKey | NWFWBCVUKNAPLQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
rac-1-Hexadecyloxy-2-methoxypropyl-3-(2'-pyridylethyl) phosphonate (CAS 84337-29-1), with molecular formula C27H50NO6P and molecular weight 515.34 g/mol. IUPAC: (3-hexadecoxy-2-methoxypropyl) 2-pyridin-1-ium-1-ylethyl phosphate.
Chemical Property Profile of rac-1-Hexadecyloxy-2-methoxypropyl-3-(2'-pyridylethyl) phosphonate
Property Insights of rac-1-Hexadecyloxy-2-methoxypropyl-3-(2'-pyridylethyl) phosphonate
The XLogP value of 7.1 indicates that rac-1-Hexadecyloxy-2-methoxypropyl-3-(2'-pyridylethyl) phosphonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for rac-1-Hexadecyloxy-2-methoxypropyl-3-(2'-pyridylethyl) phosphonate. Following Lipinski's Rule of Five, rac-1-Hexadecyloxy-2-methoxypropyl-3-(2'-pyridylethyl) phosphonate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of rac-1-Hexadecyloxy-2-methoxypropyl-3-(2'-pyridylethyl) phosphonate?
The CAS number of rac-1-Hexadecyloxy-2-methoxypropyl-3-(2'-pyridylethyl) phosphonate is 84337-29-1.
What is the molecular formula of rac-1-Hexadecyloxy-2-methoxypropyl-3-(2'-pyridylethyl) phosphonate?
The molecular formula of rac-1-Hexadecyloxy-2-methoxypropyl-3-(2'-pyridylethyl) phosphonate is C27H50NO6P.
What is the molecular weight of rac-1-Hexadecyloxy-2-methoxypropyl-3-(2'-pyridylethyl) phosphonate?
The molecular weight of rac-1-Hexadecyloxy-2-methoxypropyl-3-(2'-pyridylethyl) phosphonate is 515.34 g/mol.
Where can I buy rac-1-Hexadecyloxy-2-methoxypropyl-3-(2'-pyridylethyl) phosphonate?
You can request a quote for rac-1-Hexadecyloxy-2-methoxypropyl-3-(2'-pyridylethyl) phosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for rac-1-Hexadecyloxy-2-methoxypropyl-3-(2'-pyridylethyl) phosphonate?
Yes, KEHONG BIO provides custom synthesis services for rac-1-Hexadecyloxy-2-methoxypropyl-3-(2'-pyridylethyl) phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.