RefChem:77084
TL;DR: RefChem:77084 (CAS 56280-59-2) is a chemical compound with molecular formula C15H27ClN2O and molecular weight 286.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(N-ethyl-3-methylanilino)-2-hydroxypropyl]-trimethylazanium chloride
Also Known As: [3-[ethyl(o-tolyl)amino]-2-hydroxypropyl]trimethylammonium chloride|(3-(Ethyl(o-tolyl)amino)-2-hydroxypropyl)trimethylammonium chloride|1-Propanaminium, 3-(ethyl(3-methylphenyl)amino)-2-hydroxy-N,N,N-trimethyl-, chloride|3-[ethyl(3-methylphenyl)amino]-2-hydroxy-n,n,n-trimethylpropan-1-aminium chloride|1-Propanaminium, 3-(ethyl(3-methylphenyl)amino)-2-hydroxy-N,N,N-trimethyl-, chloride (1:1)|1-Propanaminium, 3-[ethyl(3-methylphenyl)amino]-2-hydroxy-N,N,N-trimethyl-, chloride (1:1)|[3-(N-ethyl-3-methylanilino)-2-hydroxypropyl]-trimethylazanium chloride|1-Propanaminium, 3-[ethyl(3-methylphenyl)amino]-2-hydroxy-N,N,N-trimethyl-, chloride|1-Propanaminium,3-(ethyl(3-methylphenyl)amino)-2-hydroxy-N,N,N-trimethyl-,chloride (1:1)|EINECS 260-093-0|RefChem:77084|DTXCID201024140|DLGQIIFFGCXVIZ-UHFFFAOYSA-M
| Molecular Formula | C15H27ClN2O |
|---|---|
| Molecular Weight | 286.18 g/mol |
| LogP | -1.11 |
| Topological Polar Surface Area | 23.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 286.18118 |
| Heavy Atoms | 19 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 56280-59-2 |
|---|---|
| SMILES | CCN(CC(C[N+](C)(C)C)O)C1=CC=CC(=C1)C.[Cl-] |
| InChIKey | DLGQIIFFGCXVIZ-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:77084 (CAS 56280-59-2), with molecular formula C15H27ClN2O and molecular weight 286.18 g/mol. IUPAC: [3-(N-ethyl-3-methylanilino)-2-hydroxypropyl]-trimethylazanium chloride.
Chemical Property Profile of RefChem:77084
Property Insights of RefChem:77084
The XLogP value of -1.11 indicates that RefChem:77084 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 23.5 Ų, RefChem:77084 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:77084 has 1 hydrogen bond donor(s) and 3 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:77084?
The CAS number of RefChem:77084 is 56280-59-2.
What is the molecular formula of RefChem:77084?
The molecular formula of RefChem:77084 is C15H27ClN2O.
What is the molecular weight of RefChem:77084?
The molecular weight of RefChem:77084 is 286.18 g/mol.
Where can I buy RefChem:77084?
You can request a quote for RefChem:77084 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:77084?
Yes, KEHONG BIO provides custom synthesis services for RefChem:77084 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.