2-(Dimethylamino)ethyl 3,5-dinitrobenzoate
TL;DR: 2-(Dimethylamino)ethyl 3,5-dinitrobenzoate (CAS 159138-49-5) is a chemical compound with molecular formula C11H13N3O6 and molecular weight 283.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(dimethylamino)ethyl 3,5-dinitrobenzoate
Also Known As: 2-(dimethylamino)ethyl 3,5-dinitrobenzoate, 2-dimethylaminoethyl 3,5-dinitrobenzoate
| Molecular Formula | C11H13N3O6 |
|---|---|
| Molecular Weight | 283.08 g/mol |
| LogP | 1.2214 |
| Topological Polar Surface Area | 115.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 283.08044 |
| Heavy Atoms | 20 |
| Complexity | 510.71005 |
Chemical Identifiers
| CAS Number | 159138-49-5 |
|---|---|
| SMILES | CN(C)CCOC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
2-(Dimethylamino)ethyl 3,5-dinitrobenzoate (CAS 159138-49-5), with molecular formula C11H13N3O6 and molecular weight 283.08 g/mol. IUPAC: 2-(dimethylamino)ethyl 3,5-dinitrobenzoate.
Chemical Property Profile of 2-(Dimethylamino)ethyl 3,5-dinitrobenzoate
Property Insights of 2-(Dimethylamino)ethyl 3,5-dinitrobenzoate
The XLogP value of 1.2214 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Dimethylamino)ethyl 3,5-dinitrobenzoate. The TPSA of 115.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Dimethylamino)ethyl 3,5-dinitrobenzoate. Following Lipinski's Rule of Five, 2-(Dimethylamino)ethyl 3,5-dinitrobenzoate has 0 hydrogen bond donor(s) and 7 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 3,5-dinitrobenzoate?
The CAS number of 2-(Dimethylamino)ethyl 3,5-dinitrobenzoate is 159138-49-5.
What is the molecular formula of 2-(Dimethylamino)ethyl 3,5-dinitrobenzoate?
The molecular formula of 2-(Dimethylamino)ethyl 3,5-dinitrobenzoate is C11H13N3O6.
What is the molecular weight of 2-(Dimethylamino)ethyl 3,5-dinitrobenzoate?
The molecular weight of 2-(Dimethylamino)ethyl 3,5-dinitrobenzoate is 283.08 g/mol.
Where can I buy 2-(Dimethylamino)ethyl 3,5-dinitrobenzoate?
You can request a quote for 2-(Dimethylamino)ethyl 3,5-dinitrobenzoate 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 3,5-dinitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Dimethylamino)ethyl 3,5-dinitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.