N-butyl-3-nitrobenzamide
TL;DR: N-butyl-3-nitrobenzamide (CAS 70001-47-7) 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-3-nitrobenzamide
Also Known As: N-butyl-3-nitrobenzamide, N-Butyl-3-nitro-benzamide, N-n-Butyl-3-nitrobenzamide, Benzamide,N-butyl-3-nitro-, N-butyl(3-nitrophenyl)carboxamide
| Molecular Formula | C11H14N2O3 |
|---|---|
| Molecular Weight | 222.10 g/mol |
| LogP | 2.2 |
| 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 | 250.0 |
Chemical Identifiers
| CAS Number | 70001-47-7 |
|---|---|
| SMILES | CCCCNC(=O)C1=CC(=CC=C1)[N+](=O)[O-] |
| InChIKey | PLKPLRMLCSBJKV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-butyl-3-nitrobenzamide (CAS 70001-47-7), with molecular formula C11H14N2O3 and molecular weight 222.10 g/mol. IUPAC: N-butyl-3-nitrobenzamide.
Chemical Property Profile of N-butyl-3-nitrobenzamide
Property Insights of N-butyl-3-nitrobenzamide
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-butyl-3-nitrobenzamide. The TPSA of 74.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N-butyl-3-nitrobenzamide. Following Lipinski's Rule of Five, N-butyl-3-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-3-nitrobenzamide?
The CAS number of N-butyl-3-nitrobenzamide is 70001-47-7.
What is the molecular formula of N-butyl-3-nitrobenzamide?
The molecular formula of N-butyl-3-nitrobenzamide is C11H14N2O3.
What is the molecular weight of N-butyl-3-nitrobenzamide?
The molecular weight of N-butyl-3-nitrobenzamide is 222.10 g/mol.
Where can I buy N-butyl-3-nitrobenzamide?
You can request a quote for N-butyl-3-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-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-butyl-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.