RefChem:234571
TL;DR: RefChem:234571 (CAS 61886-48-4) is a chemical compound with molecular formula C18H40N2O5S and molecular weight 396.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl-dimethyl-[3-(nonanoylamino)propyl]azanium;ethyl sulfate
Also Known As: Isononamidopropyl ethyldimonium ethosulfate, Nonamidopropyl ethyldimonium ethosulfate, 1-Propanaminium, N-ethyl-N,N-dimethyl-3-[(1-oxononyl)amino]-, ethyl sulfate, Isononamidopropyl ethyldimethylammonium ethosulfate, ethyl-dimethyl-[3-(nonanoylamino)propyl]azanium,ethyl sulfate
| Molecular Formula | C18H40N2O5S |
|---|---|
| Molecular Weight | 396.27 g/mol |
| LogP | 2.82 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 13 |
| Exact Mass | 396.2658 |
| Heavy Atoms | 26 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 61886-48-4 |
|---|---|
| SMILES | CCCCCCCCC(=O)NCCC[N+](C)(C)CC.CCOS(=O)(=O)[O-] |
| InChIKey | ZIUNFPOGTUSDFY-UHFFFAOYSA-N |
Product Overview
RefChem:234571 (CAS 61886-48-4), with molecular formula C18H40N2O5S and molecular weight 396.27 g/mol. IUPAC: ethyl-dimethyl-[3-(nonanoylamino)propyl]azanium;ethyl sulfate.
Chemical Property Profile of RefChem:234571
Property Insights of RefChem:234571
The XLogP value of 2.82 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:234571. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:234571. Following Lipinski's Rule of Five, RefChem:234571 has 1 hydrogen bond donor(s) and 5 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:234571?
The CAS number of RefChem:234571 is 61886-48-4.
What is the molecular formula of RefChem:234571?
The molecular formula of RefChem:234571 is C18H40N2O5S.
What is the molecular weight of RefChem:234571?
The molecular weight of RefChem:234571 is 396.27 g/mol.
Where can I buy RefChem:234571?
You can request a quote for RefChem:234571 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:234571?
Yes, KEHONG BIO provides custom synthesis services for RefChem:234571 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.