RefChem:318975
TL;DR: RefChem:318975 (CAS 87415-52-9) is a chemical compound with molecular formula C19H26BrNO4 and molecular weight 411.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-ethoxy-2-oxoethyl)-(2-hydroxy-3-naphthalen-1-yloxypropyl)-dimethylazanium bromide
Also Known As: Ammonium, (carboxymethyl)dimethyl(2-hydroxy-3-(1-naphthyloxy)propyl)-, ethyl ester, bromide, (Carboxymethyl)dimethyl(2-hydroxy-3-(1-naphthyloxy)propyl)ammonium ethyl ester bromide, (2-ethoxy-2-oxoethyl)-(2-hydroxy-3-naphthalen-1-yloxypropyl)-dimethylazanium bromide, N-(2-Ethoxy-2-oxoethyl)-2-hydroxy-N,N-dimethyl-3-[(naphthalen-1-yl)oxy]propan-1-aminium bromide, RefChem:318975
| Molecular Formula | C19H26BrNO4 |
|---|---|
| Molecular Weight | 411.10 g/mol |
| LogP | -0.78 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 411.10452 |
| Heavy Atoms | 25 |
| Complexity | 399.0 |
Chemical Identifiers
| CAS Number | 87415-52-9 |
|---|---|
| SMILES | CCOC(=O)C[N+](C)(C)CC(COC1=CC=CC2=CC=CC=C21)O.[Br-] |
| InChIKey | MVWHPSQWUABKED-UHFFFAOYSA-M |
Product Overview
RefChem:318975 (CAS 87415-52-9), with molecular formula C19H26BrNO4 and molecular weight 411.10 g/mol. IUPAC: (2-ethoxy-2-oxoethyl)-(2-hydroxy-3-naphthalen-1-yloxypropyl)-dimethylazanium bromide.
Chemical Property Profile of RefChem:318975
Property Insights of RefChem:318975
The XLogP value of -0.78 indicates that RefChem:318975 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 55.8 Ų, RefChem:318975 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:318975 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:318975?
The CAS number of RefChem:318975 is 87415-52-9.
What is the molecular formula of RefChem:318975?
The molecular formula of RefChem:318975 is C19H26BrNO4.
What is the molecular weight of RefChem:318975?
The molecular weight of RefChem:318975 is 411.10 g/mol.
Where can I buy RefChem:318975?
You can request a quote for RefChem:318975 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:318975?
Yes, KEHONG BIO provides custom synthesis services for RefChem:318975 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.