2-(Dimethylamino)ethyl 4-nitrobenzoate hydrochloride
TL;DR: 2-(Dimethylamino)ethyl 4-nitrobenzoate hydrochloride (CAS 54288-75-4) is a chemical compound with molecular formula C11H15ClN2O4 and molecular weight 274.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(dimethylamino)ethyl 4-nitrobenzoate;hydrochloride
Also Known As: 2-dimethylaminoethyl 4-nitrobenzoate Hydrochloride, 2-(dimethylamino)ethyl 4-nitrobenzoate;hydrochloride, 2-(DIMETHYLAMINO)ETHYL 4-NITROBENZOATE HYDROCHLORIDE, p-nitrobenzoic acid b-(dimethylamino)ethyl ester hydrochloride
| Molecular Formula | C11H15ClN2O4 |
|---|---|
| Molecular Weight | 274.07 g/mol |
| LogP | 1.735 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 274.07202 |
| Heavy Atoms | 18 |
| Complexity | 406.00916 |
Chemical Identifiers
| CAS Number | 54288-75-4 |
|---|---|
| SMILES | CN(C)CCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-].Cl |
Product Overview
2-(Dimethylamino)ethyl 4-nitrobenzoate hydrochloride (CAS 54288-75-4), with molecular formula C11H15ClN2O4 and molecular weight 274.07 g/mol. IUPAC: 2-(dimethylamino)ethyl 4-nitrobenzoate;hydrochloride.
Chemical Property Profile of 2-(Dimethylamino)ethyl 4-nitrobenzoate hydrochloride
Property Insights of 2-(Dimethylamino)ethyl 4-nitrobenzoate hydrochloride
The XLogP value of 1.735 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Dimethylamino)ethyl 4-nitrobenzoate hydrochloride. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Dimethylamino)ethyl 4-nitrobenzoate hydrochloride. Following Lipinski's Rule of Five, 2-(Dimethylamino)ethyl 4-nitrobenzoate hydrochloride has 0 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-(Dimethylamino)ethyl 4-nitrobenzoate hydrochloride?
The CAS number of 2-(Dimethylamino)ethyl 4-nitrobenzoate hydrochloride is 54288-75-4.
What is the molecular formula of 2-(Dimethylamino)ethyl 4-nitrobenzoate hydrochloride?
The molecular formula of 2-(Dimethylamino)ethyl 4-nitrobenzoate hydrochloride is C11H15ClN2O4.
What is the molecular weight of 2-(Dimethylamino)ethyl 4-nitrobenzoate hydrochloride?
The molecular weight of 2-(Dimethylamino)ethyl 4-nitrobenzoate hydrochloride is 274.07 g/mol.
Where can I buy 2-(Dimethylamino)ethyl 4-nitrobenzoate hydrochloride?
You can request a quote for 2-(Dimethylamino)ethyl 4-nitrobenzoate hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Dimethylamino)ethyl 4-nitrobenzoate hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2-(Dimethylamino)ethyl 4-nitrobenzoate hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.