2-(Diethylamino)ethyl 3-aminobenzoate
TL;DR: 2-(Diethylamino)ethyl 3-aminobenzoate (CAS 10369-94-5) is a chemical compound with molecular formula C13H20N2O2 and molecular weight 236.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)ethyl 3-aminobenzoate
Also Known As: 2-(Diethylamino)ethyl 3-aminobenzoate, 2-diethylaminoethyl 3-aminobenzoate, 2-(Diethylamino)ethyl3-aminobenzoate, 2-(Diethylamino)ethyl 3-aminobenzoate #, 3-Aminobenzoic acid, 2-diethylaminoethyl ester
| Molecular Formula | C13H20N2O2 |
|---|---|
| Molecular Weight | 236.15 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 55.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 236.15248 |
| Heavy Atoms | 17 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 10369-94-5 |
|---|---|
| SMILES | CCN(CC)CCOC(=O)C1=CC(=CC=C1)N |
| InChIKey | MJBPJVLUWNYUHH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Diethylamino)ethyl 3-aminobenzoate (CAS 10369-94-5), with molecular formula C13H20N2O2 and molecular weight 236.15 g/mol. IUPAC: 2-(diethylamino)ethyl 3-aminobenzoate.
Chemical Property Profile of 2-(Diethylamino)ethyl 3-aminobenzoate
Property Insights of 2-(Diethylamino)ethyl 3-aminobenzoate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Diethylamino)ethyl 3-aminobenzoate. With a topological polar surface area (TPSA) of 55.6 Ų, 2-(Diethylamino)ethyl 3-aminobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Diethylamino)ethyl 3-aminobenzoate 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 2-(Diethylamino)ethyl 3-aminobenzoate?
The CAS number of 2-(Diethylamino)ethyl 3-aminobenzoate is 10369-94-5.
What is the molecular formula of 2-(Diethylamino)ethyl 3-aminobenzoate?
The molecular formula of 2-(Diethylamino)ethyl 3-aminobenzoate is C13H20N2O2.
What is the molecular weight of 2-(Diethylamino)ethyl 3-aminobenzoate?
The molecular weight of 2-(Diethylamino)ethyl 3-aminobenzoate is 236.15 g/mol.
Where can I buy 2-(Diethylamino)ethyl 3-aminobenzoate?
You can request a quote for 2-(Diethylamino)ethyl 3-aminobenzoate 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 3-aminobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Diethylamino)ethyl 3-aminobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.