3-Hydroxyphenyl diethylmethylammonium
TL;DR: 3-Hydroxyphenyl diethylmethylammonium (CAS 152-46-5) is a chemical compound with molecular formula C11H18NO+ and molecular weight 180.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-(3-hydroxyphenyl)-methylazanium
Also Known As: 3-Hydroxyphenyl diethylmethylammonium, diethyl-(3-hydroxyphenyl)-methylazanium, N,N-Diethyl-3-hydroxy-N-methylbenzenaminium, N,N-Diethyl-3-hydroxy-N-methylanilinium, RefChem:94374
| Molecular Formula | C11H18NO+ |
|---|---|
| Molecular Weight | 180.14 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 180.13884 |
| Heavy Atoms | 13 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 152-46-5 |
|---|---|
| SMILES | CC[N+](C)(CC)C1=CC(=CC=C1)O |
| InChIKey | XEJPEVHUDPMVHQ-UHFFFAOYSA-O |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Hydroxyphenyl diethylmethylammonium (CAS 152-46-5), with molecular formula C11H18NO+ and molecular weight 180.14 g/mol. IUPAC: diethyl-(3-hydroxyphenyl)-methylazanium.
Chemical Property Profile of 3-Hydroxyphenyl diethylmethylammonium
Property Insights of 3-Hydroxyphenyl diethylmethylammonium
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxyphenyl diethylmethylammonium. With a topological polar surface area (TPSA) of 20.2 Ų, 3-Hydroxyphenyl diethylmethylammonium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxyphenyl diethylmethylammonium has 1 hydrogen bond donor(s) and 1 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 3-Hydroxyphenyl diethylmethylammonium?
The CAS number of 3-Hydroxyphenyl diethylmethylammonium is 152-46-5.
What is the molecular formula of 3-Hydroxyphenyl diethylmethylammonium?
The molecular formula of 3-Hydroxyphenyl diethylmethylammonium is C11H18NO+.
What is the molecular weight of 3-Hydroxyphenyl diethylmethylammonium?
The molecular weight of 3-Hydroxyphenyl diethylmethylammonium is 180.14 g/mol.
Where can I buy 3-Hydroxyphenyl diethylmethylammonium?
You can request a quote for 3-Hydroxyphenyl diethylmethylammonium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxyphenyl diethylmethylammonium?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxyphenyl diethylmethylammonium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.