N-4-Nitrobenzo-2-oxa-1,3-diazoledipalmitoyl phosphatidylethanolamine
TL;DR: N-4-Nitrobenzo-2-oxa-1,3-diazoledipalmitoyl phosphatidylethanolamine (CAS 6694-16-2) is a chemical compound with molecular formula C43H75N4O11P and molecular weight 854.52 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-hexadecanoyloxy-3-[hydroxy-[2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]ethoxy]phosphoryl]oxypropyl] hexadecanoate
Also Known As: N-Nbd-PE, 2-(hexadecanoyloxy)-3-[(hydroxy{2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]ethoxy}phosphoryl)oxy]propyl hexadecanoate, N-4-Nitrobenzo-2-oxa-1,3-diazoledipalmitoyl phosphatidylethanolamine, 1,2-Dipalmitoyl-sn-glycero-3-phosphoethanolamine, 7-nitrobenzofurazan-labeled, [2,3-bis(hexadecanoyloxy)propoxy]({2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]ethoxy})phosphinic acid
| Molecular Formula | C43H75N4O11P |
|---|---|
| Molecular Weight | 854.52 g/mol |
| LogP | 14.2 |
| Topological Polar Surface Area | 205.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 41 |
| Exact Mass | 854.51697 |
| Heavy Atoms | 59 |
| Complexity | 1130.0 |
Chemical Identifiers
| CAS Number | 6694-16-2 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC1=CC=C(C2=NON=C12)[N+](=O)[O-])OC(=O)CCCCCCCCCCCCCCC |
| InChIKey | ODWMPKRLTCWGFP-UHFFFAOYSA-N |
Product Overview
N-4-Nitrobenzo-2-oxa-1,3-diazoledipalmitoyl phosphatidylethanolamine (CAS 6694-16-2), with molecular formula C43H75N4O11P and molecular weight 854.52 g/mol. IUPAC: [2-hexadecanoyloxy-3-[hydroxy-[2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]ethoxy]phosphoryl]oxypropyl] hexadecanoate.
Chemical Property Profile of N-4-Nitrobenzo-2-oxa-1,3-diazoledipalmitoyl phosphatidylethanolamine
Property Insights of N-4-Nitrobenzo-2-oxa-1,3-diazoledipalmitoyl phosphatidylethanolamine
The XLogP value of 14.2 indicates that N-4-Nitrobenzo-2-oxa-1,3-diazoledipalmitoyl phosphatidylethanolamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 205.0 Ų indicates high polarity, suggesting N-4-Nitrobenzo-2-oxa-1,3-diazoledipalmitoyl phosphatidylethanolamine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-4-Nitrobenzo-2-oxa-1,3-diazoledipalmitoyl phosphatidylethanolamine has 2 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-4-Nitrobenzo-2-oxa-1,3-diazoledipalmitoyl phosphatidylethanolamine?
The CAS number of N-4-Nitrobenzo-2-oxa-1,3-diazoledipalmitoyl phosphatidylethanolamine is 6694-16-2.
What is the molecular formula of N-4-Nitrobenzo-2-oxa-1,3-diazoledipalmitoyl phosphatidylethanolamine?
The molecular formula of N-4-Nitrobenzo-2-oxa-1,3-diazoledipalmitoyl phosphatidylethanolamine is C43H75N4O11P.
What is the molecular weight of N-4-Nitrobenzo-2-oxa-1,3-diazoledipalmitoyl phosphatidylethanolamine?
The molecular weight of N-4-Nitrobenzo-2-oxa-1,3-diazoledipalmitoyl phosphatidylethanolamine is 854.52 g/mol.
Where can I buy N-4-Nitrobenzo-2-oxa-1,3-diazoledipalmitoyl phosphatidylethanolamine?
You can request a quote for N-4-Nitrobenzo-2-oxa-1,3-diazoledipalmitoyl phosphatidylethanolamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-4-Nitrobenzo-2-oxa-1,3-diazoledipalmitoyl phosphatidylethanolamine?
Yes, KEHONG BIO provides custom synthesis services for N-4-Nitrobenzo-2-oxa-1,3-diazoledipalmitoyl phosphatidylethanolamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.