N,N-Diisobutyl-3,5-dinitrobenzamide
TL;DR: N,N-Diisobutyl-3,5-dinitrobenzamide (CAS 56808-98-1) is a chemical compound with molecular formula C15H21N3O5 and molecular weight 323.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-bis(2-methylpropyl)-3,5-dinitrobenzamide
Also Known As: N,N-Diisobutyl-3,5-dinitrobenzamide, Benzamide, N,N-diisobutyl-3,5-dinitro-, 2-methoxy-5-morpholin-4-ylsulfonylaniline, N,N-bis(2-methylpropyl)-3,5-dinitrobenzamide, N,N-bis(2-methylpropyl)-3,5-dinitro-benzamide
| Molecular Formula | C15H21N3O5 |
|---|---|
| Molecular Weight | 323.15 g/mol |
| LogP | 3.2572 |
| Topological Polar Surface Area | 106.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 323.14813 |
| Heavy Atoms | 23 |
| Complexity | 570.87994 |
Chemical Identifiers
| CAS Number | 56808-98-1 |
|---|---|
| SMILES | CC(C)CN(CC(C)C)C(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
N,N-Diisobutyl-3,5-dinitrobenzamide (CAS 56808-98-1), with molecular formula C15H21N3O5 and molecular weight 323.15 g/mol. IUPAC: N,N-bis(2-methylpropyl)-3,5-dinitrobenzamide.
Chemical Property Profile of N,N-Diisobutyl-3,5-dinitrobenzamide
Property Insights of N,N-Diisobutyl-3,5-dinitrobenzamide
The XLogP value of 3.2572 indicates that N,N-Diisobutyl-3,5-dinitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.59 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N-Diisobutyl-3,5-dinitrobenzamide. Following Lipinski's Rule of Five, N,N-Diisobutyl-3,5-dinitrobenzamide has 0 hydrogen bond donor(s) and 5 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-Diisobutyl-3,5-dinitrobenzamide?
The CAS number of N,N-Diisobutyl-3,5-dinitrobenzamide is 56808-98-1.
What is the molecular formula of N,N-Diisobutyl-3,5-dinitrobenzamide?
The molecular formula of N,N-Diisobutyl-3,5-dinitrobenzamide is C15H21N3O5.
What is the molecular weight of N,N-Diisobutyl-3,5-dinitrobenzamide?
The molecular weight of N,N-Diisobutyl-3,5-dinitrobenzamide is 323.15 g/mol.
Where can I buy N,N-Diisobutyl-3,5-dinitrobenzamide?
You can request a quote for N,N-Diisobutyl-3,5-dinitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-Diisobutyl-3,5-dinitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N,N-Diisobutyl-3,5-dinitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.