Benzoic acid, 3-amino-4-ethoxy-, 2-(diethylamino)ethyl ester, hydrochloride
TL;DR: Benzoic acid, 3-amino-4-ethoxy-, 2-(diethylamino)ethyl ester, hydrochloride (CAS 69781-24-4) is a chemical compound with molecular formula C15H25ClN2O3 and molecular weight 316.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-amino-4-ethoxybenzoyl)oxyethyl-diethylazanium chloride
Also Known As: Proparacaine Impurity 8, 3-Amino-4-ethoxybenzoic acid 2-(diethylamino)ethyl ester hydrochloride, beta-Diethylaminoethyl-3-amino-4-ethoxy benzoate hydrochloride, 2-(3-amino-4-ethoxybenzoyl)oxyethyl-diethylazanium;chloride, BENZOIC ACID, 3-AMINO-4-ETHOXY-, 2-(DIETHYLAMINO)ETHYL ESTER, HYDROCHLORIDE
| Molecular Formula | C15H25ClN2O3 |
|---|---|
| Molecular Weight | 316.16 g/mol |
| LogP | -2.25 |
| Topological Polar Surface Area | 66.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 316.15536 |
| Heavy Atoms | 21 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 69781-24-4 |
|---|---|
| SMILES | CC[NH+](CC)CCOC(=O)C1=CC(=C(C=C1)OCC)N.[Cl-] |
| InChIKey | JTOKECMTNYNKBC-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 3-amino-4-ethoxy-, 2-(diethylamino)ethyl ester, hydrochloride (CAS 69781-24-4), with molecular formula C15H25ClN2O3 and molecular weight 316.16 g/mol. IUPAC: 2-(3-amino-4-ethoxybenzoyl)oxyethyl-diethylazanium chloride.
Chemical Property Profile of Benzoic acid, 3-amino-4-ethoxy-, 2-(diethylamino)ethyl ester, hydrochloride
Property Insights of Benzoic acid, 3-amino-4-ethoxy-, 2-(diethylamino)ethyl ester, hydrochloride
The XLogP value of -2.25 indicates that Benzoic acid, 3-amino-4-ethoxy-, 2-(diethylamino)ethyl ester, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 3-amino-4-ethoxy-, 2-(diethylamino)ethyl ester, hydrochloride. Following Lipinski's Rule of Five, Benzoic acid, 3-amino-4-ethoxy-, 2-(diethylamino)ethyl ester, hydrochloride 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 Benzoic acid, 3-amino-4-ethoxy-, 2-(diethylamino)ethyl ester, hydrochloride?
The CAS number of Benzoic acid, 3-amino-4-ethoxy-, 2-(diethylamino)ethyl ester, hydrochloride is 69781-24-4.
What is the molecular formula of Benzoic acid, 3-amino-4-ethoxy-, 2-(diethylamino)ethyl ester, hydrochloride?
The molecular formula of Benzoic acid, 3-amino-4-ethoxy-, 2-(diethylamino)ethyl ester, hydrochloride is C15H25ClN2O3.
What is the molecular weight of Benzoic acid, 3-amino-4-ethoxy-, 2-(diethylamino)ethyl ester, hydrochloride?
The molecular weight of Benzoic acid, 3-amino-4-ethoxy-, 2-(diethylamino)ethyl ester, hydrochloride is 316.16 g/mol.
Where can I buy Benzoic acid, 3-amino-4-ethoxy-, 2-(diethylamino)ethyl ester, hydrochloride?
You can request a quote for Benzoic acid, 3-amino-4-ethoxy-, 2-(diethylamino)ethyl 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, 3-amino-4-ethoxy-, 2-(diethylamino)ethyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3-amino-4-ethoxy-, 2-(diethylamino)ethyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.