RefChem:591465
TL;DR: RefChem:591465 (CAS 68833-63-6) is a chemical compound with molecular formula C57H115N7O13S and molecular weight 1137.83 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[[4-[acetyloxymethyl(octadecoxymethyl)amino]-6-[methoxymethyl(octadecoxymethyl)amino]-1,3,5-triazin-2-yl]-(methoxymethyl)amino]methoxy]ethyl-bis(2-hydroxyethyl)-methylazanium;methyl sulfate
Also Known As: Ethanaminium, 2-[[[4-[[(acetyloxy)methyl][(octadecyloxy)methyl]amino]-6-[(methoxymethyl)[(octadecyloxy)methyl]amino]-1,3,5-triazin-2-yl](methoxymethyl)amino]methoxy]-N,N-bis(2-hydroxyethyl)-N-methyl-, methyl sulfate (salt), Ethanaminium, 2-(((4-(((acetyloxy)methyl)((octadecyloxy)methyl)amino)-6-((methoxymethyl)((octadecyloxy)methyl)amino)-1,3,5-triazin-2-yl)(methoxymethyl)amino)methoxy)-N,N-bis(2-hydroxyethyl)-N-methyl-, methyl sulfate (1:1), Ethanaminium, 2-(((4-(((acetyloxy)methyl)((octadecyloxy)methyl)amino)-6-((methoxymethyl)((octadecyloxy)methyl)amino)-1,3,5-triazin-2-yl)(methoxymethyl)amino)methoxy)-N,N-bis(2-hydroxyethyl)-N-methyl-, methyl sulfate (salt), Ethanaminium, 2-[[[4-[[(acetyloxy)methyl][(octadecyloxy)methyl]amino]-6-[(methoxymethyl)[(octadecyloxy)methyl]amino]-1,3,5-triazin-2-yl](methoxymethyl)amino]methoxy]-N,N-bis(2-hydroxyethyl)-N-methyl-, methyl sulfate (1:1), 2-[[[4-[acetyloxymethyl(octadecoxymethyl)amino]-6-[methoxymethyl(octadecoxymethyl)amino]-1,3,5-triazin-2-yl]-(methoxymethyl)amino]methoxy]ethyl-bis(2-hydroxyethyl)-methylazanium; methyl sulfate
| Molecular Formula | C57H115N7O13S |
|---|---|
| Molecular Weight | 1137.83 g/mol |
| LogP | 10.9887 |
| Topological Polar Surface Area | 236.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 57 |
| Exact Mass | 1137.8274 |
| Heavy Atoms | 78 |
| Complexity | 1240.0 |
Chemical Identifiers
| CAS Number | 68833-63-6 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCOCN(COC)C1=NC(=NC(=N1)N(COCCCCCCCCCCCCCCCCCC)COC(=O)C)N(COC)COCC[N+](C)(CCO)CCO.COS(=O)(=O)[O-] |
| InChIKey | VIBKWALSLXXPOU-UHFFFAOYSA-M |
Product Overview
RefChem:591465 (CAS 68833-63-6), with molecular formula C57H115N7O13S and molecular weight 1137.83 g/mol. IUPAC: 2-[[[4-[acetyloxymethyl(octadecoxymethyl)amino]-6-[methoxymethyl(octadecoxymethyl)amino]-1,3,5-triazin-2-yl]-(methoxymethyl)amino]methoxy]ethyl-bis(2-hydroxyethyl)-methylazanium;methyl sulfate.
Chemical Property Profile of RefChem:591465
Property Insights of RefChem:591465
The XLogP value of 10.9887 indicates that RefChem:591465 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 236.0 Ų indicates high polarity, suggesting RefChem:591465 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:591465 has 2 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:591465?
The CAS number of RefChem:591465 is 68833-63-6.
What is the molecular formula of RefChem:591465?
The molecular formula of RefChem:591465 is C57H115N7O13S.
What is the molecular weight of RefChem:591465?
The molecular weight of RefChem:591465 is 1137.83 g/mol.
Where can I buy RefChem:591465?
You can request a quote for RefChem:591465 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:591465?
Yes, KEHONG BIO provides custom synthesis services for RefChem:591465 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.