Benzoic acid, o-ethoxy-, 2-diethylamino-1-phenylethyl ester, hydrochloride
TL;DR: Benzoic acid, o-ethoxy-, 2-diethylamino-1-phenylethyl ester, hydrochloride (CAS 73713-63-0) is a chemical compound with molecular formula C21H28ClNO3 and molecular weight 377.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2-ethoxybenzoyl)oxy-2-phenylethyl]-diethylazanium chloride
Also Known As: BENZOIC ACID, o-ETHOXY-, 2-DIETHYLAMINO-1-PHENYLETHYL ESTER, HYDROCHLORIDE, Ethanol, 2-diethylamino-1-phenyl-, o-ethoxybenzoate, hydrochloride, 2-Diethylamino-1-phenylethanol, o-ethoxybenzoate ester, hydrochloride, Benzoic acid, 2-ethoxy-, 2-(diethylamino)-1-phenylethyl ester, hydrochloride, [2-(2-ethoxybenzoyl)oxy-2-phenylethyl]-diethylazanium chloride
| Molecular Formula | C21H28ClNO3 |
|---|---|
| Molecular Weight | 377.18 g/mol |
| LogP | -0.09 |
| Topological Polar Surface Area | 40.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 377.17578 |
| Heavy Atoms | 26 |
| Complexity | 377.0 |
Chemical Identifiers
| CAS Number | 73713-63-0 |
|---|---|
| SMILES | CC[NH+](CC)CC(C1=CC=CC=C1)OC(=O)C2=CC=CC=C2OCC.[Cl-] |
| InChIKey | QSJMQOPHOXDMOZ-UHFFFAOYSA-N |
Product Overview
Benzoic acid, o-ethoxy-, 2-diethylamino-1-phenylethyl ester, hydrochloride (CAS 73713-63-0), with molecular formula C21H28ClNO3 and molecular weight 377.18 g/mol. IUPAC: [2-(2-ethoxybenzoyl)oxy-2-phenylethyl]-diethylazanium chloride.
Chemical Property Profile of Benzoic acid, o-ethoxy-, 2-diethylamino-1-phenylethyl ester, hydrochloride
Property Insights of Benzoic acid, o-ethoxy-, 2-diethylamino-1-phenylethyl ester, hydrochloride
The XLogP value of -0.09 indicates that Benzoic acid, o-ethoxy-, 2-diethylamino-1-phenylethyl ester, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.0 Ų, Benzoic acid, o-ethoxy-, 2-diethylamino-1-phenylethyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, o-ethoxy-, 2-diethylamino-1-phenylethyl ester, hydrochloride has 1 hydrogen bond donor(s) and 4 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 Benzoic acid, o-ethoxy-, 2-diethylamino-1-phenylethyl ester, hydrochloride?
The CAS number of Benzoic acid, o-ethoxy-, 2-diethylamino-1-phenylethyl ester, hydrochloride is 73713-63-0.
What is the molecular formula of Benzoic acid, o-ethoxy-, 2-diethylamino-1-phenylethyl ester, hydrochloride?
The molecular formula of Benzoic acid, o-ethoxy-, 2-diethylamino-1-phenylethyl ester, hydrochloride is C21H28ClNO3.
What is the molecular weight of Benzoic acid, o-ethoxy-, 2-diethylamino-1-phenylethyl ester, hydrochloride?
The molecular weight of Benzoic acid, o-ethoxy-, 2-diethylamino-1-phenylethyl ester, hydrochloride is 377.18 g/mol.
Where can I buy Benzoic acid, o-ethoxy-, 2-diethylamino-1-phenylethyl ester, hydrochloride?
You can request a quote for Benzoic acid, o-ethoxy-, 2-diethylamino-1-phenylethyl ester, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, o-ethoxy-, 2-diethylamino-1-phenylethyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, o-ethoxy-, 2-diethylamino-1-phenylethyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.