N-benzyl-5-morpholin-4-yl-2-nitroaniline
TL;DR: N-benzyl-5-morpholin-4-yl-2-nitroaniline (CAS 330634-14-5) is a chemical compound with molecular formula C17H19N3O3 and molecular weight 313.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-5-morpholin-4-yl-2-nitroaniline
Also Known As: N-benzyl-5-morpholin-4-yl-2-nitroaniline, N-benzyl-5-(morpholin-4-yl)-2-nitroaniline, N-benzyl-5-(4-morpholinyl)-2-nitroaniline, benzyl-(5-morpholino-2-nitro-phenyl)amine, (5-morpholin-4-yl-2-nitrophenyl)benzylamine
| Molecular Formula | C17H19N3O3 |
|---|---|
| Molecular Weight | 313.14 g/mol |
| LogP | 3.0435 |
| Topological Polar Surface Area | 67.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 313.14264 |
| Heavy Atoms | 23 |
| Complexity | 670.03876 |
Chemical Identifiers
| CAS Number | 330634-14-5 |
|---|---|
| SMILES | C1COCCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CC=C3 |
Product Overview
N-benzyl-5-morpholin-4-yl-2-nitroaniline (CAS 330634-14-5), with molecular formula C17H19N3O3 and molecular weight 313.14 g/mol. IUPAC: N-benzyl-5-morpholin-4-yl-2-nitroaniline.
Chemical Property Profile of N-benzyl-5-morpholin-4-yl-2-nitroaniline
Property Insights of N-benzyl-5-morpholin-4-yl-2-nitroaniline
The XLogP value of 3.0435 indicates that N-benzyl-5-morpholin-4-yl-2-nitroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.64 Ų falls within the moderate polarity range, balancing permeability and solubility for N-benzyl-5-morpholin-4-yl-2-nitroaniline. Following Lipinski's Rule of Five, N-benzyl-5-morpholin-4-yl-2-nitroaniline has 1 hydrogen bond donor(s) and 5 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-5-morpholin-4-yl-2-nitroaniline?
The CAS number of N-benzyl-5-morpholin-4-yl-2-nitroaniline is 330634-14-5.
What is the molecular formula of N-benzyl-5-morpholin-4-yl-2-nitroaniline?
The molecular formula of N-benzyl-5-morpholin-4-yl-2-nitroaniline is C17H19N3O3.
What is the molecular weight of N-benzyl-5-morpholin-4-yl-2-nitroaniline?
The molecular weight of N-benzyl-5-morpholin-4-yl-2-nitroaniline is 313.14 g/mol.
Where can I buy N-benzyl-5-morpholin-4-yl-2-nitroaniline?
You can request a quote for N-benzyl-5-morpholin-4-yl-2-nitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzyl-5-morpholin-4-yl-2-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-5-morpholin-4-yl-2-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.