N-benzyl-N-(2,2-diethoxyethyl)-3-hydroxy-2-nitrobenzamide
TL;DR: N-benzyl-N-(2,2-diethoxyethyl)-3-hydroxy-2-nitrobenzamide (CAS 94295-87-1) is a chemical compound with molecular formula C20H24N2O6 and molecular weight 388.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-N-(2,2-diethoxyethyl)-3-hydroxy-2-nitrobenzamide
Also Known As: N-benzyl-N-(2,2-diethoxyethyl)-3-hydroxy-2-nitrobenzamide, Benzamide,n-(2,2-diethoxyethyl)-3-hydroxy-2-nitro-n-(phenylmethyl)-
| Molecular Formula | C20H24N2O6 |
|---|---|
| Molecular Weight | 388.16 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 388.16342 |
| Heavy Atoms | 28 |
| Complexity | 486.0 |
Chemical Identifiers
| CAS Number | 94295-87-1 |
|---|---|
| SMILES | CCOC(CN(CC1=CC=CC=C1)C(=O)C2=C(C(=CC=C2)O)[N+](=O)[O-])OCC |
| InChIKey | NEJUTXDMUZSAGN-UHFFFAOYSA-N |
Product Overview
N-benzyl-N-(2,2-diethoxyethyl)-3-hydroxy-2-nitrobenzamide (CAS 94295-87-1), with molecular formula C20H24N2O6 and molecular weight 388.16 g/mol. IUPAC: N-benzyl-N-(2,2-diethoxyethyl)-3-hydroxy-2-nitrobenzamide.
Chemical Property Profile of N-benzyl-N-(2,2-diethoxyethyl)-3-hydroxy-2-nitrobenzamide
Property Insights of N-benzyl-N-(2,2-diethoxyethyl)-3-hydroxy-2-nitrobenzamide
The XLogP value of 3.5 indicates that N-benzyl-N-(2,2-diethoxyethyl)-3-hydroxy-2-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-benzyl-N-(2,2-diethoxyethyl)-3-hydroxy-2-nitrobenzamide. Following Lipinski's Rule of Five, N-benzyl-N-(2,2-diethoxyethyl)-3-hydroxy-2-nitrobenzamide has 1 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 N-benzyl-N-(2,2-diethoxyethyl)-3-hydroxy-2-nitrobenzamide?
The CAS number of N-benzyl-N-(2,2-diethoxyethyl)-3-hydroxy-2-nitrobenzamide is 94295-87-1.
What is the molecular formula of N-benzyl-N-(2,2-diethoxyethyl)-3-hydroxy-2-nitrobenzamide?
The molecular formula of N-benzyl-N-(2,2-diethoxyethyl)-3-hydroxy-2-nitrobenzamide is C20H24N2O6.
What is the molecular weight of N-benzyl-N-(2,2-diethoxyethyl)-3-hydroxy-2-nitrobenzamide?
The molecular weight of N-benzyl-N-(2,2-diethoxyethyl)-3-hydroxy-2-nitrobenzamide is 388.16 g/mol.
Where can I buy N-benzyl-N-(2,2-diethoxyethyl)-3-hydroxy-2-nitrobenzamide?
You can request a quote for N-benzyl-N-(2,2-diethoxyethyl)-3-hydroxy-2-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzyl-N-(2,2-diethoxyethyl)-3-hydroxy-2-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-N-(2,2-diethoxyethyl)-3-hydroxy-2-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.