N-butyl-3,5-dinitrobenzamide
TL;DR: N-butyl-3,5-dinitrobenzamide (CAS 2782-41-4) is a chemical compound with molecular formula C11H13N3O5 and molecular weight 267.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butyl-3,5-dinitrobenzamide
Also Known As: N-butyl-3,5-dinitrobenzamide, n-n-butyl-3,5-dinitrobenzamide, N-butyl-3.5-dinitrobenzamide, Benzamide,N-butyl-3,5-dinitro-, N-BUTYL-3,5-DINITRO-BENZAMIDE
| Molecular Formula | C11H13N3O5 |
|---|---|
| Molecular Weight | 267.09 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 267.0855 |
| Heavy Atoms | 19 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 2782-41-4 |
|---|---|
| SMILES | CCCCNC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | FGIFCTOQWKVMBH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-butyl-3,5-dinitrobenzamide (CAS 2782-41-4), with molecular formula C11H13N3O5 and molecular weight 267.09 g/mol. IUPAC: N-butyl-3,5-dinitrobenzamide.
Chemical Property Profile of N-butyl-3,5-dinitrobenzamide
Property Insights of N-butyl-3,5-dinitrobenzamide
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-butyl-3,5-dinitrobenzamide. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-butyl-3,5-dinitrobenzamide. Following Lipinski's Rule of Five, N-butyl-3,5-dinitrobenzamide 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 N-butyl-3,5-dinitrobenzamide?
The CAS number of N-butyl-3,5-dinitrobenzamide is 2782-41-4.
What is the molecular formula of N-butyl-3,5-dinitrobenzamide?
The molecular formula of N-butyl-3,5-dinitrobenzamide is C11H13N3O5.
What is the molecular weight of N-butyl-3,5-dinitrobenzamide?
The molecular weight of N-butyl-3,5-dinitrobenzamide is 267.09 g/mol.
Where can I buy N-butyl-3,5-dinitrobenzamide?
You can request a quote for N-butyl-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-butyl-3,5-dinitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-butyl-3,5-dinitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.