(2-Hydroxyethyl)dimethylammonium 2-(4-chlorophenoxy)-2-methylpropionate
TL;DR: (2-Hydroxyethyl)dimethylammonium 2-(4-chlorophenoxy)-2-methylpropionate (CAS 28100-39-2) is a chemical compound with molecular formula C14H22ClNO4 and molecular weight 303.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenoxy)-2-methylpropanoic acid;2-(dimethylamino)ethanol
Also Known As: (2-Hydroxyethyl)dimethylammonium 2-(4-chlorophenoxy)-2-methylpropionate, p-Chlorophenoxyisobutyric acid dimethylaminoethanol salt, 3-(4-chlorophenoxy)-2-methylpropanoic acid- 2-(dimethylamino)ethanol(1:1), 3-(4-chlorophenoxy)-2-methyl-propanoic acid; 2-dimethylaminoethanol, 3-(4-chlorophenoxy)-2-methylpropanoic acid; 2-(dimethylamino)ethanol
| Molecular Formula | C14H22ClNO4 |
|---|---|
| Molecular Weight | 303.12 g/mol |
| LogP | 1.98 |
| Topological Polar Surface Area | 70.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 303.12375 |
| Heavy Atoms | 20 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 28100-39-2 |
|---|---|
| SMILES | CC(COC1=CC=C(C=C1)Cl)C(=O)O.CN(C)CCO |
| InChIKey | VIHNYAXGUFTKSQ-UHFFFAOYSA-N |
Product Overview
(2-Hydroxyethyl)dimethylammonium 2-(4-chlorophenoxy)-2-methylpropionate (CAS 28100-39-2), with molecular formula C14H22ClNO4 and molecular weight 303.12 g/mol. IUPAC: 3-(4-chlorophenoxy)-2-methylpropanoic acid;2-(dimethylamino)ethanol.
Chemical Property Profile of (2-Hydroxyethyl)dimethylammonium 2-(4-chlorophenoxy)-2-methylpropionate
Property Insights of (2-Hydroxyethyl)dimethylammonium 2-(4-chlorophenoxy)-2-methylpropionate
The XLogP value of 1.98 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Hydroxyethyl)dimethylammonium 2-(4-chlorophenoxy)-2-methylpropionate. The TPSA of 70.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-Hydroxyethyl)dimethylammonium 2-(4-chlorophenoxy)-2-methylpropionate. Following Lipinski's Rule of Five, (2-Hydroxyethyl)dimethylammonium 2-(4-chlorophenoxy)-2-methylpropionate has 2 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 (2-Hydroxyethyl)dimethylammonium 2-(4-chlorophenoxy)-2-methylpropionate?
The CAS number of (2-Hydroxyethyl)dimethylammonium 2-(4-chlorophenoxy)-2-methylpropionate is 28100-39-2.
What is the molecular formula of (2-Hydroxyethyl)dimethylammonium 2-(4-chlorophenoxy)-2-methylpropionate?
The molecular formula of (2-Hydroxyethyl)dimethylammonium 2-(4-chlorophenoxy)-2-methylpropionate is C14H22ClNO4.
What is the molecular weight of (2-Hydroxyethyl)dimethylammonium 2-(4-chlorophenoxy)-2-methylpropionate?
The molecular weight of (2-Hydroxyethyl)dimethylammonium 2-(4-chlorophenoxy)-2-methylpropionate is 303.12 g/mol.
Where can I buy (2-Hydroxyethyl)dimethylammonium 2-(4-chlorophenoxy)-2-methylpropionate?
You can request a quote for (2-Hydroxyethyl)dimethylammonium 2-(4-chlorophenoxy)-2-methylpropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Hydroxyethyl)dimethylammonium 2-(4-chlorophenoxy)-2-methylpropionate?
Yes, KEHONG BIO provides custom synthesis services for (2-Hydroxyethyl)dimethylammonium 2-(4-chlorophenoxy)-2-methylpropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.