N,N-di(butan-2-yl)-4-nitrobenzamide
TL;DR: N,N-di(butan-2-yl)-4-nitrobenzamide (CAS 35845-97-7) is a chemical compound with molecular formula C15H22N2O3 and molecular weight 278.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-di(butan-2-yl)-4-nitrobenzamide
Also Known As: N,N-di(butan-2-yl)-4-nitrobenzamide, N,N-di(sec-butyl)-4-nitrobenzamide, NN-BIS(BUTAN-2-YL)-4-NITROBENZAMIDE, N,N-bis(methylpropyl)(4-nitrophenyl)carboxamide
| Molecular Formula | C15H22N2O3 |
|---|---|
| Molecular Weight | 278.16 g/mol |
| LogP | 3.634 |
| Topological Polar Surface Area | 63.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 278.16306 |
| Heavy Atoms | 20 |
| Complexity | 460.5119 |
Chemical Identifiers
| CAS Number | 35845-97-7 |
|---|---|
| SMILES | CCC(C)N(C(C)CC)C(=O)C1=CC=C(C=C1)[N+](=O)[O-] |
Product Overview
N,N-di(butan-2-yl)-4-nitrobenzamide (CAS 35845-97-7), with molecular formula C15H22N2O3 and molecular weight 278.16 g/mol. IUPAC: N,N-di(butan-2-yl)-4-nitrobenzamide.
Chemical Property Profile of N,N-di(butan-2-yl)-4-nitrobenzamide
Property Insights of N,N-di(butan-2-yl)-4-nitrobenzamide
The XLogP value of 3.634 indicates that N,N-di(butan-2-yl)-4-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.45 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N-di(butan-2-yl)-4-nitrobenzamide. Following Lipinski's Rule of Five, N,N-di(butan-2-yl)-4-nitrobenzamide has 0 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,N-di(butan-2-yl)-4-nitrobenzamide?
The CAS number of N,N-di(butan-2-yl)-4-nitrobenzamide is 35845-97-7.
What is the molecular formula of N,N-di(butan-2-yl)-4-nitrobenzamide?
The molecular formula of N,N-di(butan-2-yl)-4-nitrobenzamide is C15H22N2O3.
What is the molecular weight of N,N-di(butan-2-yl)-4-nitrobenzamide?
The molecular weight of N,N-di(butan-2-yl)-4-nitrobenzamide is 278.16 g/mol.
Where can I buy N,N-di(butan-2-yl)-4-nitrobenzamide?
You can request a quote for N,N-di(butan-2-yl)-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,N-di(butan-2-yl)-4-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N,N-di(butan-2-yl)-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.