N-(4-butan-2-ylphenyl)-4-nitrobenzamide
TL;DR: N-(4-butan-2-ylphenyl)-4-nitrobenzamide (CAS 349396-07-2) is a chemical compound with molecular formula C17H18N2O3 and molecular weight 298.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-butan-2-ylphenyl)-4-nitrobenzamide
Also Known As: N-(4-butan-2-ylphenyl)-4-nitrobenzamide, N-[4-(butan-2-yl)phenyl]-4-nitrobenzamide, BIM-0009543.P001, N-[4-(SEC-BUTYL)PHENYL]-4-NITROBENZAMIDE, N-[4-(methylpropyl)phenyl](4-nitrophenyl)carboxamide
| Molecular Formula | C17H18N2O3 |
|---|---|
| Molecular Weight | 298.13 g/mol |
| LogP | 4.3606 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 298.13174 |
| Heavy Atoms | 22 |
| Complexity | 663.30835 |
Chemical Identifiers
| CAS Number | 349396-07-2 |
|---|---|
| SMILES | CCC(C)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
N-(4-butan-2-ylphenyl)-4-nitrobenzamide (CAS 349396-07-2), with molecular formula C17H18N2O3 and molecular weight 298.13 g/mol. IUPAC: N-(4-butan-2-ylphenyl)-4-nitrobenzamide.
Chemical Property Profile of N-(4-butan-2-ylphenyl)-4-nitrobenzamide
Property Insights of N-(4-butan-2-ylphenyl)-4-nitrobenzamide
The XLogP value of 4.3606 indicates that N-(4-butan-2-ylphenyl)-4-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.24 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-butan-2-ylphenyl)-4-nitrobenzamide. Following Lipinski's Rule of Five, N-(4-butan-2-ylphenyl)-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-(4-butan-2-ylphenyl)-4-nitrobenzamide?
The CAS number of N-(4-butan-2-ylphenyl)-4-nitrobenzamide is 349396-07-2.
What is the molecular formula of N-(4-butan-2-ylphenyl)-4-nitrobenzamide?
The molecular formula of N-(4-butan-2-ylphenyl)-4-nitrobenzamide is C17H18N2O3.
What is the molecular weight of N-(4-butan-2-ylphenyl)-4-nitrobenzamide?
The molecular weight of N-(4-butan-2-ylphenyl)-4-nitrobenzamide is 298.13 g/mol.
Where can I buy N-(4-butan-2-ylphenyl)-4-nitrobenzamide?
You can request a quote for N-(4-butan-2-ylphenyl)-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-(4-butan-2-ylphenyl)-4-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-butan-2-ylphenyl)-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.