2-(Diethylamino)ethyl 4-amino-2-(benzyloxy)benzoate--hydrogen chloride (1/1)
TL;DR: 2-(Diethylamino)ethyl 4-amino-2-(benzyloxy)benzoate--hydrogen chloride (1/1) (CAS 100347-79-3) is a chemical compound with molecular formula C20H27ClN2O3 and molecular weight 378.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-amino-2-phenylmethoxybenzoyl)oxyethyl-diethylazanium chloride
Also Known As: WIN 3643, 2-(diethylamino)ethyl4-amino-2-phenylmethoxybenzoate, 4-Amino-2-(benzyloxy)-benzoic acid 2-(diethylamino)ethyl ester hydrochloride, 2-(4-amino-2-phenylmethoxybenzoyl)oxyethyl-diethylazanium chloride, Benzoic acid, 4-amino-2-(benzyloxy)-, 2-(diethylamino)ethyl ester, monohydrochloride
| Molecular Formula | C20H27ClN2O3 |
|---|---|
| Molecular Weight | 378.17 g/mol |
| LogP | -1.07 |
| Topological Polar Surface Area | 66.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 378.17102 |
| Heavy Atoms | 26 |
| Complexity | 381.0 |
Chemical Identifiers
| CAS Number | 100347-79-3 |
|---|---|
| SMILES | CC[NH+](CC)CCOC(=O)C1=C(C=C(C=C1)N)OCC2=CC=CC=C2.[Cl-] |
| InChIKey | WDUFCVULMIJMBH-UHFFFAOYSA-N |
Product Overview
2-(Diethylamino)ethyl 4-amino-2-(benzyloxy)benzoate--hydrogen chloride (1/1) (CAS 100347-79-3), with molecular formula C20H27ClN2O3 and molecular weight 378.17 g/mol. IUPAC: 2-(4-amino-2-phenylmethoxybenzoyl)oxyethyl-diethylazanium chloride.
Chemical Property Profile of 2-(Diethylamino)ethyl 4-amino-2-(benzyloxy)benzoate--hydrogen chloride (1/1)
Property Insights of 2-(Diethylamino)ethyl 4-amino-2-(benzyloxy)benzoate--hydrogen chloride (1/1)
The XLogP value of -1.07 indicates that 2-(Diethylamino)ethyl 4-amino-2-(benzyloxy)benzoate--hydrogen chloride (1/1) 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 2-(Diethylamino)ethyl 4-amino-2-(benzyloxy)benzoate--hydrogen chloride (1/1). Following Lipinski's Rule of Five, 2-(Diethylamino)ethyl 4-amino-2-(benzyloxy)benzoate--hydrogen chloride (1/1) 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-(Diethylamino)ethyl 4-amino-2-(benzyloxy)benzoate--hydrogen chloride (1/1)?
The CAS number of 2-(Diethylamino)ethyl 4-amino-2-(benzyloxy)benzoate--hydrogen chloride (1/1) is 100347-79-3.
What is the molecular formula of 2-(Diethylamino)ethyl 4-amino-2-(benzyloxy)benzoate--hydrogen chloride (1/1)?
The molecular formula of 2-(Diethylamino)ethyl 4-amino-2-(benzyloxy)benzoate--hydrogen chloride (1/1) is C20H27ClN2O3.
What is the molecular weight of 2-(Diethylamino)ethyl 4-amino-2-(benzyloxy)benzoate--hydrogen chloride (1/1)?
The molecular weight of 2-(Diethylamino)ethyl 4-amino-2-(benzyloxy)benzoate--hydrogen chloride (1/1) is 378.17 g/mol.
Where can I buy 2-(Diethylamino)ethyl 4-amino-2-(benzyloxy)benzoate--hydrogen chloride (1/1)?
You can request a quote for 2-(Diethylamino)ethyl 4-amino-2-(benzyloxy)benzoate--hydrogen chloride (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Diethylamino)ethyl 4-amino-2-(benzyloxy)benzoate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 2-(Diethylamino)ethyl 4-amino-2-(benzyloxy)benzoate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.