N,N-diethylaminoethyl(2-N-methyl)benzoate
TL;DR: N,N-diethylaminoethyl(2-N-methyl)benzoate (CAS 78325-32-3) is a chemical compound with molecular formula C14H23ClN2O2 and molecular weight 286.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)ethyl 2-(methylamino)benzoate;hydrochloride
Also Known As: DANB, N,N-Diethylaminoethyl(2-N-methyl)benzoate, Benzoic acid, 2-(methylamino)-, 2-(diethylamino)ethyl ester, monohydrochloride, 2-(diethylamino)ethyl 2-(methylamino)benzoate;hydrochloride, 2-diethylaminoethyl 2-(methylamino)benzoate hydrochloride
| Molecular Formula | C14H23ClN2O2 |
|---|---|
| Molecular Weight | 286.14 g/mol |
| LogP | 2.6487 |
| Topological Polar Surface Area | 41.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 286.1448 |
| Heavy Atoms | 19 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 78325-32-3 |
|---|---|
| SMILES | CCN(CC)CCOC(=O)C1=CC=CC=C1NC.Cl |
| InChIKey | CGSUGYPDISOJLG-UHFFFAOYSA-N |
Product Overview
N,N-diethylaminoethyl(2-N-methyl)benzoate (CAS 78325-32-3), with molecular formula C14H23ClN2O2 and molecular weight 286.14 g/mol. IUPAC: 2-(diethylamino)ethyl 2-(methylamino)benzoate;hydrochloride.
Chemical Property Profile of N,N-diethylaminoethyl(2-N-methyl)benzoate
Property Insights of N,N-diethylaminoethyl(2-N-methyl)benzoate
The XLogP value of 2.6487 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-diethylaminoethyl(2-N-methyl)benzoate. With a topological polar surface area (TPSA) of 41.6 Ų, N,N-diethylaminoethyl(2-N-methyl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-diethylaminoethyl(2-N-methyl)benzoate has 2 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 N,N-diethylaminoethyl(2-N-methyl)benzoate?
The CAS number of N,N-diethylaminoethyl(2-N-methyl)benzoate is 78325-32-3.
What is the molecular formula of N,N-diethylaminoethyl(2-N-methyl)benzoate?
The molecular formula of N,N-diethylaminoethyl(2-N-methyl)benzoate is C14H23ClN2O2.
What is the molecular weight of N,N-diethylaminoethyl(2-N-methyl)benzoate?
The molecular weight of N,N-diethylaminoethyl(2-N-methyl)benzoate is 286.14 g/mol.
Where can I buy N,N-diethylaminoethyl(2-N-methyl)benzoate?
You can request a quote for N,N-diethylaminoethyl(2-N-methyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-diethylaminoethyl(2-N-methyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for N,N-diethylaminoethyl(2-N-methyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.