RefChem:77081
TL;DR: RefChem:77081 (CAS 70776-71-5) is a chemical compound with molecular formula C21H47NO8S and molecular weight 473.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-decoxy-2-hydroxypropyl)-ethyl-bis(2-hydroxyethyl)azanium;ethyl sulfate
Also Known As: ethylbis ammoniumethylsulphate, 1-Propanaminium, 3-(decyloxy)-N-ethyl-2-hydroxy-N,N-bis(2-hydroxyethyl)-, ethyl sulfate (salt), 2-Hydroxy-N,N-bis(2-hydroxyethyl)-N-ethyl-3-decyloxypropylammonium ethyl sulfate, 1-Propanaminium, 3-(decyloxy)-N-ethyl-2-hydroxy-N,N-bis(2-hydroxyethyl)-, ethyl sulfate (1:1), (3-Decyloxy-2-hydroxypropyl)ethylbis(2-hydroxyethyl)ammonium ethylsulphate
| Molecular Formula | C21H47NO8S |
|---|---|
| Molecular Weight | 473.30 g/mol |
| LogP | 1.809 |
| Topological Polar Surface Area | 145.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 19 |
| Exact Mass | 473.30225 |
| Heavy Atoms | 31 |
| Complexity | 362.0 |
Chemical Identifiers
| CAS Number | 70776-71-5 |
|---|---|
| SMILES | CCCCCCCCCCOCC(C[N+](CC)(CCO)CCO)O.CCOS(=O)(=O)[O-] |
| InChIKey | CFOGILBDCOLWPT-UHFFFAOYSA-M |
Product Overview
RefChem:77081 (CAS 70776-71-5), with molecular formula C21H47NO8S and molecular weight 473.30 g/mol. IUPAC: (3-decoxy-2-hydroxypropyl)-ethyl-bis(2-hydroxyethyl)azanium;ethyl sulfate.
Chemical Property Profile of RefChem:77081
Property Insights of RefChem:77081
The XLogP value of 1.809 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:77081. The TPSA of 145.0 Ų indicates high polarity, suggesting RefChem:77081 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:77081 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:77081?
The CAS number of RefChem:77081 is 70776-71-5.
What is the molecular formula of RefChem:77081?
The molecular formula of RefChem:77081 is C21H47NO8S.
What is the molecular weight of RefChem:77081?
The molecular weight of RefChem:77081 is 473.30 g/mol.
Where can I buy RefChem:77081?
You can request a quote for RefChem:77081 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:77081?
Yes, KEHONG BIO provides custom synthesis services for RefChem:77081 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.