2-(Diethylamino)ethyl 3-(benzyloxy)-4-methyl-2-nitrobenzoate
TL;DR: 2-(Diethylamino)ethyl 3-(benzyloxy)-4-methyl-2-nitrobenzoate (CAS 64044-48-0) is a chemical compound with molecular formula C21H26N2O5 and molecular weight 386.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)ethyl 4-methyl-2-nitro-3-phenylmethoxybenzoate
Also Known As: (2-fluoro-5-nitrophenyl)methan-1-ol, 2-(diethylamino)ethyl 3-(benzyloxy)-4-methyl-2-nitrobenzoate, 2-(diethylamino)ethyl 4-methyl-2-nitro-3-phenylmethoxybenzoate, 2-(diethylamino)ethyl 4-methyl-2-nitro-3-phenylmethoxybenzoa, 2-diethylaminoethyl 4-methyl-2-nitro-3-phenylmethoxybenzoate
| Molecular Formula | C21H26N2O5 |
|---|---|
| Molecular Weight | 386.18 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 84.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 386.18417 |
| Heavy Atoms | 28 |
| Complexity | 486.0 |
Chemical Identifiers
| CAS Number | 64044-48-0 |
|---|---|
| SMILES | CCN(CC)CCOC(=O)C1=C(C(=C(C=C1)C)OCC2=CC=CC=C2)[N+](=O)[O-] |
| InChIKey | VFNZKSGJFPRMTN-UHFFFAOYSA-N |
Product Overview
2-(Diethylamino)ethyl 3-(benzyloxy)-4-methyl-2-nitrobenzoate (CAS 64044-48-0), with molecular formula C21H26N2O5 and molecular weight 386.18 g/mol. IUPAC: 2-(diethylamino)ethyl 4-methyl-2-nitro-3-phenylmethoxybenzoate.
Chemical Property Profile of 2-(Diethylamino)ethyl 3-(benzyloxy)-4-methyl-2-nitrobenzoate
Property Insights of 2-(Diethylamino)ethyl 3-(benzyloxy)-4-methyl-2-nitrobenzoate
The XLogP value of 4.2 indicates that 2-(Diethylamino)ethyl 3-(benzyloxy)-4-methyl-2-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Diethylamino)ethyl 3-(benzyloxy)-4-methyl-2-nitrobenzoate. Following Lipinski's Rule of Five, 2-(Diethylamino)ethyl 3-(benzyloxy)-4-methyl-2-nitrobenzoate has 0 hydrogen bond donor(s) and 6 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-(benzyloxy)-4-methyl-2-nitrobenzoate?
The CAS number of 2-(Diethylamino)ethyl 3-(benzyloxy)-4-methyl-2-nitrobenzoate is 64044-48-0.
What is the molecular formula of 2-(Diethylamino)ethyl 3-(benzyloxy)-4-methyl-2-nitrobenzoate?
The molecular formula of 2-(Diethylamino)ethyl 3-(benzyloxy)-4-methyl-2-nitrobenzoate is C21H26N2O5.
What is the molecular weight of 2-(Diethylamino)ethyl 3-(benzyloxy)-4-methyl-2-nitrobenzoate?
The molecular weight of 2-(Diethylamino)ethyl 3-(benzyloxy)-4-methyl-2-nitrobenzoate is 386.18 g/mol.
Where can I buy 2-(Diethylamino)ethyl 3-(benzyloxy)-4-methyl-2-nitrobenzoate?
You can request a quote for 2-(Diethylamino)ethyl 3-(benzyloxy)-4-methyl-2-nitrobenzoate 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-(benzyloxy)-4-methyl-2-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Diethylamino)ethyl 3-(benzyloxy)-4-methyl-2-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.