N-butyl-4-nitrobenzamide
TL;DR: N-butyl-4-nitrobenzamide (CAS 51207-98-8) is a chemical compound with molecular formula C11H14N2O3 and molecular weight 222.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butyl-4-nitrobenzamide
Also Known As: N-butyl-4-nitrobenzamide, 4-Nitro-N-butylbenzamide, N-Butyl-4-nitro-benzamid, Benzamide, N-butyl-4-nitro-, N-n-butyl-4-nitrobenzamide
| Molecular Formula | C11H14N2O3 |
|---|---|
| Molecular Weight | 222.10 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 74.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 222.10045 |
| Heavy Atoms | 16 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 51207-98-8 |
|---|---|
| SMILES | CCCCNC(=O)C1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | ZPYLRHGQFFDNOH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-butyl-4-nitrobenzamide (CAS 51207-98-8), with molecular formula C11H14N2O3 and molecular weight 222.10 g/mol. IUPAC: N-butyl-4-nitrobenzamide.
Chemical Property Profile of N-butyl-4-nitrobenzamide
Property Insights of N-butyl-4-nitrobenzamide
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-butyl-4-nitrobenzamide. The TPSA of 74.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N-butyl-4-nitrobenzamide. Following Lipinski's Rule of Five, N-butyl-4-nitrobenzamide has 1 hydrogen bond donor(s) and 3 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-butyl-4-nitrobenzamide?
The CAS number of N-butyl-4-nitrobenzamide is 51207-98-8.
What is the molecular formula of N-butyl-4-nitrobenzamide?
The molecular formula of N-butyl-4-nitrobenzamide is C11H14N2O3.
What is the molecular weight of N-butyl-4-nitrobenzamide?
The molecular weight of N-butyl-4-nitrobenzamide is 222.10 g/mol.
Where can I buy N-butyl-4-nitrobenzamide?
You can request a quote for N-butyl-4-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-butyl-4-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-butyl-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.