C51H99N2O6.CH3O4S
TL;DR: C51H99N2O6.CH3O4S (CAS 65059-61-2) is a chemical compound with molecular formula C52H102N2O10S and molecular weight 946.73 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxypropyl-[2-[2-hydroxypropyl(2-octadec-9-enoyloxypropyl)amino]ethyl]-methyl-(2-octadec-10-enoyloxypropyl)azanium;methyl sulfate
Also Known As: 1-Propanaminium, N-[2-[bis(2-hydroxypropyl)amino]ethyl]-2-hydroxy-N-(2-hydroxypropyl)-N-methyl-, di-(9Z)-9-octadecenoate (ester), methyl sulfate (salt), [2- [bis(2- hydroxypropyl)amino]ethyl]bis(2- hydroxypropyl)(methyl)ammonium methyl sulphate, dioleate (ester), [2-[bis-(2-Hydroxypropyl)amino]ethyl]bis(2-hydroxypropyl)(methyl)ammonium methyl sulfate, dioleate (ester), [2-[Bis-(2-hydroxypropyl)amino]ethyl]bis(2-hydroxypropyl)(methyl)ammonium methyl sulfate,dioleate(ester), 1-Propanaminium, N-(2-(bis(2-hydroxypropyl)amino)ethyl)-2-hydroxy-N-(2-hydroxypropyl)-N-methyl-, di-(9Z)-9-octadecenoate (ester), methyl sulfate (1:1)
| Molecular Formula | C52H102N2O10S |
|---|---|
| Molecular Weight | 946.73 g/mol |
| LogP | 11.53 |
| Topological Polar Surface Area | 171.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 45 |
| Exact Mass | 946.7255 |
| Heavy Atoms | 65 |
| Complexity | 1110.0 |
Chemical Identifiers
| CAS Number | 65059-61-2 |
|---|---|
| SMILES | CCCCCCCCC=CCCCCCCCC(=O)OC(C)CN(CC[N+](C)(CC(C)O)CC(C)OC(=O)CCCCCCCCC=CCCCCCCC)CC(C)O.COS(=O)(=O)[O-] |
| InChIKey | TWNJSZBYPPKSFE-UHFFFAOYSA-M |
Product Overview
C51H99N2O6.CH3O4S (CAS 65059-61-2), with molecular formula C52H102N2O10S and molecular weight 946.73 g/mol. IUPAC: 2-hydroxypropyl-[2-[2-hydroxypropyl(2-octadec-9-enoyloxypropyl)amino]ethyl]-methyl-(2-octadec-10-enoyloxypropyl)azanium;methyl sulfate.
Chemical Property Profile of C51H99N2O6.CH3O4S
Property Insights of C51H99N2O6.CH3O4S
The XLogP value of 11.53 indicates that C51H99N2O6.CH3O4S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 171.0 Ų indicates high polarity, suggesting C51H99N2O6.CH3O4S may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C51H99N2O6.CH3O4S has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C51H99N2O6.CH3O4S?
The CAS number of C51H99N2O6.CH3O4S is 65059-61-2.
What is the molecular formula of C51H99N2O6.CH3O4S?
The molecular formula of C51H99N2O6.CH3O4S is C52H102N2O10S.
What is the molecular weight of C51H99N2O6.CH3O4S?
The molecular weight of C51H99N2O6.CH3O4S is 946.73 g/mol.
Where can I buy C51H99N2O6.CH3O4S?
You can request a quote for C51H99N2O6.CH3O4S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C51H99N2O6.CH3O4S?
Yes, KEHONG BIO provides custom synthesis services for C51H99N2O6.CH3O4S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.