N-(7-nitro-2,1,3-benzoxadiazol-4-yl)dioleoylphosphatidylethanolamine
TL;DR: N-(7-nitro-2,1,3-benzoxadiazol-4-yl)dioleoylphosphatidylethanolamine (CAS 137819-86-4) is a chemical compound with molecular formula C47H79N4O11P and molecular weight 906.55 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[hydroxy-[2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]ethoxy]phosphoryl]oxy-2-[(E)-octadec-9-enoyl]oxypropyl] (E)-octadec-9-enoate
Also Known As: N-Nbd-dope, 1 2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOETHANOL, N-(7-Nitro-2,1,3-benzoxadiazol-4-yl)dioleoylphosphatidylethanolamine, [3-[hydroxy-[2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]ethoxy]phosphoryl]oxy-2-[(E)-octadec-9-enoyl]oxypropyl] (E)-octadec-9-enoate, 9-Ovyadecenoic acid (Z)-, 1-(((hydroxy(2-((7-nitro-4-benzofurazanyl)amino)ethoxy)phosphinyl)oxy)methyl)-1,2-ethanediyl ester
| Molecular Formula | C47H79N4O11P |
|---|---|
| Molecular Weight | 906.55 g/mol |
| LogP | 13.2065 |
| Topological Polar Surface Area | 202.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 42 |
| Exact Mass | 906.5483 |
| Heavy Atoms | 63 |
| Complexity | 1618.6909 |
Chemical Identifiers
| CAS Number | 137819-86-4 |
|---|---|
| SMILES | CCCCCCCC/C=C/CCCCCCCC(=O)OCC(COP(=O)(O)OCCNC1=CC=C(C2=NON=C12)[N+](=O)[O-])OC(=O)CCCCCCC/C=C/CCCCCCCC |
Product Overview
N-(7-nitro-2,1,3-benzoxadiazol-4-yl)dioleoylphosphatidylethanolamine (CAS 137819-86-4), with molecular formula C47H79N4O11P and molecular weight 906.55 g/mol. IUPAC: [3-[hydroxy-[2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]ethoxy]phosphoryl]oxy-2-[(E)-octadec-9-enoyl]oxypropyl] (E)-octadec-9-enoate.
Chemical Property Profile of N-(7-nitro-2,1,3-benzoxadiazol-4-yl)dioleoylphosphatidylethanolamine
Property Insights of N-(7-nitro-2,1,3-benzoxadiazol-4-yl)dioleoylphosphatidylethanolamine
The XLogP value of 13.2065 indicates that N-(7-nitro-2,1,3-benzoxadiazol-4-yl)dioleoylphosphatidylethanolamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 202.45 Ų indicates high polarity, suggesting N-(7-nitro-2,1,3-benzoxadiazol-4-yl)dioleoylphosphatidylethanolamine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(7-nitro-2,1,3-benzoxadiazol-4-yl)dioleoylphosphatidylethanolamine has 2 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(7-nitro-2,1,3-benzoxadiazol-4-yl)dioleoylphosphatidylethanolamine?
The CAS number of N-(7-nitro-2,1,3-benzoxadiazol-4-yl)dioleoylphosphatidylethanolamine is 137819-86-4.
What is the molecular formula of N-(7-nitro-2,1,3-benzoxadiazol-4-yl)dioleoylphosphatidylethanolamine?
The molecular formula of N-(7-nitro-2,1,3-benzoxadiazol-4-yl)dioleoylphosphatidylethanolamine is C47H79N4O11P.
What is the molecular weight of N-(7-nitro-2,1,3-benzoxadiazol-4-yl)dioleoylphosphatidylethanolamine?
The molecular weight of N-(7-nitro-2,1,3-benzoxadiazol-4-yl)dioleoylphosphatidylethanolamine is 906.55 g/mol.
Where can I buy N-(7-nitro-2,1,3-benzoxadiazol-4-yl)dioleoylphosphatidylethanolamine?
You can request a quote for N-(7-nitro-2,1,3-benzoxadiazol-4-yl)dioleoylphosphatidylethanolamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(7-nitro-2,1,3-benzoxadiazol-4-yl)dioleoylphosphatidylethanolamine?
Yes, KEHONG BIO provides custom synthesis services for N-(7-nitro-2,1,3-benzoxadiazol-4-yl)dioleoylphosphatidylethanolamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.