BN 52208
TL;DR: BN 52208 (CAS 136533-78-3) is a chemical compound with molecular formula C29H62N3O6P and molecular weight 579.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(methylcarbamoyloxy)-3-[methyl(octadecyl)amino]propyl] 2-(trimethylazaniumyl)ethyl phosphate
Also Known As: BN 52208, [2-(methylcarbamoyloxy)-3-[methyl(octadecyl)amino]propyl] 2-(trimethylazaniumyl)ethyl phosphate, 4,7,9-Trioxa-2-aza-8-phosphaundecan-11-aminium, 8-hydroxy-N,N,N-trimethyl-5-((methyloctadecylamino)methyl)-3-oxo-, hydroxide, inner salt, 8-oxide, 4,7,9-Trioxa-2-aza-8-phophaundecan-11-aminium, 8-hydroxy-5-((methyloctadecylamino)methyl-3-oxo-N,N,N-trimethyl-, hydroxide, inner salt, 8-oxide, 2-[Hydroxy(methylimino)methoxy]-3-[methyl(octadecyl)amino]propyl 2-(trimethylazaniumyl)ethyl phosphate
| Molecular Formula | C29H62N3O6P |
|---|---|
| Molecular Weight | 579.44 g/mol |
| LogP | 7.6 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 28 |
| Exact Mass | 579.4376 |
| Heavy Atoms | 39 |
| Complexity | 624.0 |
Chemical Identifiers
| CAS Number | 136533-78-3 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCN(C)CC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)NC |
| InChIKey | DDTNMALHFGFFMI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
BN 52208 (CAS 136533-78-3), with molecular formula C29H62N3O6P and molecular weight 579.44 g/mol. IUPAC: [2-(methylcarbamoyloxy)-3-[methyl(octadecyl)amino]propyl] 2-(trimethylazaniumyl)ethyl phosphate.
Chemical Property Profile of BN 52208
Property Insights of BN 52208
The XLogP value of 7.6 indicates that BN 52208 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BN 52208. Following Lipinski's Rule of Five, BN 52208 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BN 52208?
The CAS number of BN 52208 is 136533-78-3.
What is the molecular formula of BN 52208?
The molecular formula of BN 52208 is C29H62N3O6P.
What is the molecular weight of BN 52208?
The molecular weight of BN 52208 is 579.44 g/mol.
Where can I buy BN 52208?
You can request a quote for BN 52208 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BN 52208?
Yes, KEHONG BIO provides custom synthesis services for BN 52208 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.