Ethyl 2-(diethylamino)benzoate
TL;DR: Ethyl 2-(diethylamino)benzoate (CAS 94023-76-4) is a chemical compound with molecular formula C13H19NO2 and molecular weight 221.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(diethylamino)benzoate
Also Known As: Ethyl 2-(diethylamino)benzoate, ETHYL2- BENZOATE, EINECS 301-675-7, Ethyl 2-(N,N-diethylamino)benzoate, 2-Diethylaminobenzoic acid ethyl ester
| Molecular Formula | C13H19NO2 |
|---|---|
| Molecular Weight | 221.14 g/mol |
| LogP | 2.7095 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 221.14159 |
| Heavy Atoms | 16 |
| Complexity | 345.54077 |
Chemical Identifiers
| CAS Number | 94023-76-4 |
|---|---|
| SMILES | CCN(CC)C1=CC=CC=C1C(=O)OCC |
Product Overview
Ethyl 2-(diethylamino)benzoate (CAS 94023-76-4), with molecular formula C13H19NO2 and molecular weight 221.14 g/mol. IUPAC: ethyl 2-(diethylamino)benzoate.
Chemical Property Profile of Ethyl 2-(diethylamino)benzoate
Property Insights of Ethyl 2-(diethylamino)benzoate
The XLogP value of 2.7095 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(diethylamino)benzoate. With a topological polar surface area (TPSA) of 29.54 Ų, Ethyl 2-(diethylamino)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-(diethylamino)benzoate has 0 hydrogen bond donor(s) and 3 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 Ethyl 2-(diethylamino)benzoate?
The CAS number of Ethyl 2-(diethylamino)benzoate is 94023-76-4.
What is the molecular formula of Ethyl 2-(diethylamino)benzoate?
The molecular formula of Ethyl 2-(diethylamino)benzoate is C13H19NO2.
What is the molecular weight of Ethyl 2-(diethylamino)benzoate?
The molecular weight of Ethyl 2-(diethylamino)benzoate is 221.14 g/mol.
Where can I buy Ethyl 2-(diethylamino)benzoate?
You can request a quote for Ethyl 2-(diethylamino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(diethylamino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(diethylamino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.