4-Aminobenzoyloxyethyldiethylammonium 2-(4-chlorophenoxy)-2-methylpropionate
TL;DR: 4-Aminobenzoyloxyethyldiethylammonium 2-(4-chlorophenoxy)-2-methylpropionate (CAS 42016-66-0) is a chemical compound with molecular formula C23H31ClN2O5 and molecular weight 450.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenoxy)-2-methylpropanoic acid;2-(diethylamino)ethyl 4-aminobenzoate
Also Known As: EINECS 255-624-8, 4-Aminobenzoyloxyethyldiethylammonium 2-(4-chlorophenoxy)-2-methylpropionate, 2-(4-Chlorophenoxy)-2-methylpropanoic acid--2-(diethylamino)ethyl 4-aminobenzoate (1/1), 2-(4-chlorophenoxy)-2-methylpropanoic acid; 2-diethylaminoethyl 4-aminobenzoate
| Molecular Formula | C23H31ClN2O5 |
|---|---|
| Molecular Weight | 450.19 g/mol |
| LogP | 4.3494 |
| Topological Polar Surface Area | 102.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 450.19214 |
| Heavy Atoms | 31 |
| Complexity | 818.8654 |
Chemical Identifiers
| CAS Number | 42016-66-0 |
|---|---|
| SMILES | CCN(CC)CCOC(=O)C1=CC=C(C=C1)N.CC(C)(C(=O)O)OC1=CC=C(C=C1)Cl |
Product Overview
4-Aminobenzoyloxyethyldiethylammonium 2-(4-chlorophenoxy)-2-methylpropionate (CAS 42016-66-0), with molecular formula C23H31ClN2O5 and molecular weight 450.19 g/mol. IUPAC: 2-(4-chlorophenoxy)-2-methylpropanoic acid;2-(diethylamino)ethyl 4-aminobenzoate.
Chemical Property Profile of 4-Aminobenzoyloxyethyldiethylammonium 2-(4-chlorophenoxy)-2-methylpropionate
Property Insights of 4-Aminobenzoyloxyethyldiethylammonium 2-(4-chlorophenoxy)-2-methylpropionate
The XLogP value of 4.3494 indicates that 4-Aminobenzoyloxyethyldiethylammonium 2-(4-chlorophenoxy)-2-methylpropionate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Aminobenzoyloxyethyldiethylammonium 2-(4-chlorophenoxy)-2-methylpropionate. Following Lipinski's Rule of Five, 4-Aminobenzoyloxyethyldiethylammonium 2-(4-chlorophenoxy)-2-methylpropionate has 2 hydrogen bond donor(s) and 6 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 4-Aminobenzoyloxyethyldiethylammonium 2-(4-chlorophenoxy)-2-methylpropionate?
The CAS number of 4-Aminobenzoyloxyethyldiethylammonium 2-(4-chlorophenoxy)-2-methylpropionate is 42016-66-0.
What is the molecular formula of 4-Aminobenzoyloxyethyldiethylammonium 2-(4-chlorophenoxy)-2-methylpropionate?
The molecular formula of 4-Aminobenzoyloxyethyldiethylammonium 2-(4-chlorophenoxy)-2-methylpropionate is C23H31ClN2O5.
What is the molecular weight of 4-Aminobenzoyloxyethyldiethylammonium 2-(4-chlorophenoxy)-2-methylpropionate?
The molecular weight of 4-Aminobenzoyloxyethyldiethylammonium 2-(4-chlorophenoxy)-2-methylpropionate is 450.19 g/mol.
Where can I buy 4-Aminobenzoyloxyethyldiethylammonium 2-(4-chlorophenoxy)-2-methylpropionate?
You can request a quote for 4-Aminobenzoyloxyethyldiethylammonium 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 4-Aminobenzoyloxyethyldiethylammonium 2-(4-chlorophenoxy)-2-methylpropionate?
Yes, KEHONG BIO provides custom synthesis services for 4-Aminobenzoyloxyethyldiethylammonium 2-(4-chlorophenoxy)-2-methylpropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.