N,N-diisopropyl-4-nitrobenzamide
TL;DR: N,N-diisopropyl-4-nitrobenzamide (CAS 79606-48-7) is a chemical compound with molecular formula C13H18N2O3 and molecular weight 250.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-N,N-di(propan-2-yl)benzamide
Also Known As: N,N-diisopropyl-4-nitrobenzamide, 4-nitro-N,N-di(propan-2-yl)benzamide, 4-nitro-N,N-bis(propan-2-yl)benzamide, N,N-diisopropyl-4-nitro-benzamide, N,N-DIISOPROPYL-4-TOLUAMIDE
| Molecular Formula | C13H18N2O3 |
|---|---|
| Molecular Weight | 250.13 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.13174 |
| Heavy Atoms | 18 |
| Complexity | 294.0 |
Chemical Identifiers
| CAS Number | 79606-48-7 |
|---|---|
| SMILES | CC(C)N(C(C)C)C(=O)C1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | RDBKRCFDYJOIDU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N,N-diisopropyl-4-nitrobenzamide (CAS 79606-48-7), with molecular formula C13H18N2O3 and molecular weight 250.13 g/mol. IUPAC: 4-nitro-N,N-di(propan-2-yl)benzamide.
Chemical Property Profile of N,N-diisopropyl-4-nitrobenzamide
Property Insights of N,N-diisopropyl-4-nitrobenzamide
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-diisopropyl-4-nitrobenzamide. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N-diisopropyl-4-nitrobenzamide. Following Lipinski's Rule of Five, N,N-diisopropyl-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-diisopropyl-4-nitrobenzamide?
The CAS number of N,N-diisopropyl-4-nitrobenzamide is 79606-48-7.
What is the molecular formula of N,N-diisopropyl-4-nitrobenzamide?
The molecular formula of N,N-diisopropyl-4-nitrobenzamide is C13H18N2O3.
What is the molecular weight of N,N-diisopropyl-4-nitrobenzamide?
The molecular weight of N,N-diisopropyl-4-nitrobenzamide is 250.13 g/mol.
Where can I buy N,N-diisopropyl-4-nitrobenzamide?
You can request a quote for N,N-diisopropyl-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-diisopropyl-4-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N,N-diisopropyl-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.