RefChem:77111
TL;DR: RefChem:77111 (CAS 70776-73-7) is a chemical compound with molecular formula C19H43NO8S and molecular weight 445.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl-bis(2-hydroxyethyl)-(2-hydroxy-3-octoxypropyl)azanium;ethyl sulfate
Also Known As: 2-Hydroxy-N,N-bis(2-hydroxyethyl)-N-ethyl-3-octyloxypropylammonium ethyl sulfate, 1-Propanaminium, N-ethyl-2-hydroxy-N,N-bis(2-hydroxyethyl)-3-(octyloxy)-, ethyl sulfate (1:1), 1-Propanaminium, N-ethyl-2-hydroxy-N,N-bis(2-hydroxyethyl)-3-(octyloxy)-, ethyl sulfate (salt), ethyl-bis(2-hydroxyethyl)-(2-hydroxy-3-octoxypropyl)azanium; ethyl sulfate, Ethylbis(2-hydroxyethyl)(2-hydroxy-3-(octyloxy)propyl)ammonium ethyl sulphate
| Molecular Formula | C19H43NO8S |
|---|---|
| Molecular Weight | 445.27 g/mol |
| LogP | 1.0288 |
| Topological Polar Surface Area | 145.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 17 |
| Exact Mass | 445.27094 |
| Heavy Atoms | 29 |
| Complexity | 336.0 |
Chemical Identifiers
| CAS Number | 70776-73-7 |
|---|---|
| SMILES | CCCCCCCCOCC(C[N+](CC)(CCO)CCO)O.CCOS(=O)(=O)[O-] |
| InChIKey | OHGYZOGVOWTJCX-UHFFFAOYSA-M |
Product Overview
RefChem:77111 (CAS 70776-73-7), with molecular formula C19H43NO8S and molecular weight 445.27 g/mol. IUPAC: ethyl-bis(2-hydroxyethyl)-(2-hydroxy-3-octoxypropyl)azanium;ethyl sulfate.
Chemical Property Profile of RefChem:77111
Property Insights of RefChem:77111
The XLogP value of 1.0288 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:77111. The TPSA of 145.0 Ų indicates high polarity, suggesting RefChem:77111 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:77111 has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:77111?
The CAS number of RefChem:77111 is 70776-73-7.
What is the molecular formula of RefChem:77111?
The molecular formula of RefChem:77111 is C19H43NO8S.
What is the molecular weight of RefChem:77111?
The molecular weight of RefChem:77111 is 445.27 g/mol.
Where can I buy RefChem:77111?
You can request a quote for RefChem:77111 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:77111?
Yes, KEHONG BIO provides custom synthesis services for RefChem:77111 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.