3,5-dinitro-(N-t-octyl)-benzamide
TL;DR: 3,5-dinitro-(N-t-octyl)-benzamide (CAS 100952-10-1) 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.
3,5-dinitro-N-(2,4,4-trimethylpentan-2-yl)benzamide
Also Known As: 3,5-dinitrobenzo-ter-octylamide, 3,5-dinitro-(N-t-octyl)-benzamide, J1.691.839C, 3,5-dinitro-N-(2,4,4-trimethylpentan-2-yl)benzamide, N-(1,1,3,3-Tetramethylbutyl)-3,5-dinitrobenzamide
| Molecular Formula | C15H21N3O5 |
|---|---|
| Molecular Weight | 323.15 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 323.14813 |
| Heavy Atoms | 23 |
| Complexity | 451.0 |
Chemical Identifiers
| CAS Number | 100952-10-1 |
|---|---|
| SMILES | CC(C)(C)CC(C)(C)NC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | VZZQLSBTVGMMQK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-dinitro-(N-t-octyl)-benzamide (CAS 100952-10-1), with molecular formula C15H21N3O5 and molecular weight 323.15 g/mol. IUPAC: 3,5-dinitro-N-(2,4,4-trimethylpentan-2-yl)benzamide.
Chemical Property Profile of 3,5-dinitro-(N-t-octyl)-benzamide
Property Insights of 3,5-dinitro-(N-t-octyl)-benzamide
The XLogP value of 3.6 indicates that 3,5-dinitro-(N-t-octyl)-benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-dinitro-(N-t-octyl)-benzamide. Following Lipinski's Rule of Five, 3,5-dinitro-(N-t-octyl)-benzamide has 1 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 3,5-dinitro-(N-t-octyl)-benzamide?
The CAS number of 3,5-dinitro-(N-t-octyl)-benzamide is 100952-10-1.
What is the molecular formula of 3,5-dinitro-(N-t-octyl)-benzamide?
The molecular formula of 3,5-dinitro-(N-t-octyl)-benzamide is C15H21N3O5.
What is the molecular weight of 3,5-dinitro-(N-t-octyl)-benzamide?
The molecular weight of 3,5-dinitro-(N-t-octyl)-benzamide is 323.15 g/mol.
Where can I buy 3,5-dinitro-(N-t-octyl)-benzamide?
You can request a quote for 3,5-dinitro-(N-t-octyl)-benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-dinitro-(N-t-octyl)-benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3,5-dinitro-(N-t-octyl)-benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.