2-(Diethylamino)ethyl 4-nitrobenzoate;4-nitrobenzoic acid
TL;DR: 2-(Diethylamino)ethyl 4-nitrobenzoate;4-nitrobenzoic acid (CAS 29775-41-5) is a chemical compound with molecular formula C20H23N3O8 and molecular weight 433.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)ethyl 4-nitrobenzoate;4-nitrobenzoic acid
Also Known As: 4-nitrobenzoic acid- 2-(diethylamino)ethyl 4-nitrobenzoate(1:1), 2-diethylaminoethyl 4-nitrobenzoate; 4-nitrobenzoic acid, 2-(Diethylamino)ethyl 4-nitrobenzoate;4-nitrobenzoic acid, 4-Nitrobenzoic acid--2-(diethylamino)ethyl 4-nitrobenzoate (1/1)
| Molecular Formula | C20H23N3O8 |
|---|---|
| Molecular Weight | 433.15 g/mol |
| LogP | 3.3864 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 433.14853 |
| Heavy Atoms | 31 |
| Complexity | 482.0 |
Chemical Identifiers
| CAS Number | 29775-41-5 |
|---|---|
| SMILES | CCN(CC)CCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-].C1=CC(=CC=C1C(=O)O)[N+](=O)[O-] |
| InChIKey | QGZXBBJSBCZXQK-UHFFFAOYSA-N |
Product Overview
2-(Diethylamino)ethyl 4-nitrobenzoate;4-nitrobenzoic acid (CAS 29775-41-5), with molecular formula C20H23N3O8 and molecular weight 433.15 g/mol. IUPAC: 2-(diethylamino)ethyl 4-nitrobenzoate;4-nitrobenzoic acid.
Chemical Property Profile of 2-(Diethylamino)ethyl 4-nitrobenzoate;4-nitrobenzoic acid
Property Insights of 2-(Diethylamino)ethyl 4-nitrobenzoate;4-nitrobenzoic acid
The XLogP value of 3.3864 indicates that 2-(Diethylamino)ethyl 4-nitrobenzoate;4-nitrobenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 158.0 Ų indicates high polarity, suggesting 2-(Diethylamino)ethyl 4-nitrobenzoate;4-nitrobenzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(Diethylamino)ethyl 4-nitrobenzoate;4-nitrobenzoic acid has 1 hydrogen bond donor(s) and 9 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 4-nitrobenzoate;4-nitrobenzoic acid?
The CAS number of 2-(Diethylamino)ethyl 4-nitrobenzoate;4-nitrobenzoic acid is 29775-41-5.
What is the molecular formula of 2-(Diethylamino)ethyl 4-nitrobenzoate;4-nitrobenzoic acid?
The molecular formula of 2-(Diethylamino)ethyl 4-nitrobenzoate;4-nitrobenzoic acid is C20H23N3O8.
What is the molecular weight of 2-(Diethylamino)ethyl 4-nitrobenzoate;4-nitrobenzoic acid?
The molecular weight of 2-(Diethylamino)ethyl 4-nitrobenzoate;4-nitrobenzoic acid is 433.15 g/mol.
Where can I buy 2-(Diethylamino)ethyl 4-nitrobenzoate;4-nitrobenzoic acid?
You can request a quote for 2-(Diethylamino)ethyl 4-nitrobenzoate;4-nitrobenzoic acid 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 4-nitrobenzoate;4-nitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Diethylamino)ethyl 4-nitrobenzoate;4-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.