N,N-diethyl-5-nitro-2-phenylmethoxybenzamide
TL;DR: N,N-diethyl-5-nitro-2-phenylmethoxybenzamide (CAS 53572-74-0) is a chemical compound with molecular formula C18H20N2O4 and molecular weight 328.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethyl-5-nitro-2-phenylmethoxybenzamide
Also Known As: N,N-diethyl-5-nitro-2-phenylmethoxybenzamide, 2-Benzyloxy-N,N-diethyl-5-nitrobenzamide, 2-(BENZYLOXY)-N,N-DIETHYL-5-NITROBENZAMIDE, BENZAMIDE,N,N-DIETHYL-5-NITRO-2-(PHENYLMETHOXY)-, RefChem:359068
| Molecular Formula | C18H20N2O4 |
|---|---|
| Molecular Weight | 328.14 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 75.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 328.1423 |
| Heavy Atoms | 24 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 53572-74-0 |
|---|---|
| SMILES | CCN(CC)C(=O)C1=C(C=CC(=C1)[N+](=O)[O-])OCC2=CC=CC=C2 |
| InChIKey | AWYYGWUQZWMMLW-UHFFFAOYSA-N |
Product Overview
N,N-diethyl-5-nitro-2-phenylmethoxybenzamide (CAS 53572-74-0), with molecular formula C18H20N2O4 and molecular weight 328.14 g/mol. IUPAC: N,N-diethyl-5-nitro-2-phenylmethoxybenzamide.
Chemical Property Profile of N,N-diethyl-5-nitro-2-phenylmethoxybenzamide
Property Insights of N,N-diethyl-5-nitro-2-phenylmethoxybenzamide
The XLogP value of 3.4 indicates that N,N-diethyl-5-nitro-2-phenylmethoxybenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N-diethyl-5-nitro-2-phenylmethoxybenzamide. Following Lipinski's Rule of Five, N,N-diethyl-5-nitro-2-phenylmethoxybenzamide has 0 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-diethyl-5-nitro-2-phenylmethoxybenzamide?
The CAS number of N,N-diethyl-5-nitro-2-phenylmethoxybenzamide is 53572-74-0.
What is the molecular formula of N,N-diethyl-5-nitro-2-phenylmethoxybenzamide?
The molecular formula of N,N-diethyl-5-nitro-2-phenylmethoxybenzamide is C18H20N2O4.
What is the molecular weight of N,N-diethyl-5-nitro-2-phenylmethoxybenzamide?
The molecular weight of N,N-diethyl-5-nitro-2-phenylmethoxybenzamide is 328.14 g/mol.
Where can I buy N,N-diethyl-5-nitro-2-phenylmethoxybenzamide?
You can request a quote for N,N-diethyl-5-nitro-2-phenylmethoxybenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-diethyl-5-nitro-2-phenylmethoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N,N-diethyl-5-nitro-2-phenylmethoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.