N-(butan-2-yl)-3,5-dinitrobenzamide
TL;DR: N-(butan-2-yl)-3,5-dinitrobenzamide (CAS 85873-86-5) 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-butan-2-yl-3,5-dinitrobenzamide
Also Known As: N-(butan-2-yl)-3,5-dinitrobenzamide, N-butan-2-yl-3,5-dinitrobenzamide, N-(sec-butyl)-3,5-dinitrobenzamide, N-(1-Methylpropyl)-3,5-dinitrobenzamide, VU0509849-1
| Molecular Formula | C11H13N3O5 |
|---|---|
| Molecular Weight | 267.09 g/mol |
| LogP | 2.0313 |
| Topological Polar Surface Area | 115.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 267.0855 |
| Heavy Atoms | 19 |
| Complexity | 496.81198 |
Chemical Identifiers
| CAS Number | 85873-86-5 |
|---|---|
| SMILES | CCC(C)NC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
N-(butan-2-yl)-3,5-dinitrobenzamide (CAS 85873-86-5), with molecular formula C11H13N3O5 and molecular weight 267.09 g/mol. IUPAC: N-butan-2-yl-3,5-dinitrobenzamide.
Chemical Property Profile of N-(butan-2-yl)-3,5-dinitrobenzamide
Property Insights of N-(butan-2-yl)-3,5-dinitrobenzamide
The XLogP value of 2.0313 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(butan-2-yl)-3,5-dinitrobenzamide. The TPSA of 115.38 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(butan-2-yl)-3,5-dinitrobenzamide. Following Lipinski's Rule of Five, N-(butan-2-yl)-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-(butan-2-yl)-3,5-dinitrobenzamide?
The CAS number of N-(butan-2-yl)-3,5-dinitrobenzamide is 85873-86-5.
What is the molecular formula of N-(butan-2-yl)-3,5-dinitrobenzamide?
The molecular formula of N-(butan-2-yl)-3,5-dinitrobenzamide is C11H13N3O5.
What is the molecular weight of N-(butan-2-yl)-3,5-dinitrobenzamide?
The molecular weight of N-(butan-2-yl)-3,5-dinitrobenzamide is 267.09 g/mol.
Where can I buy N-(butan-2-yl)-3,5-dinitrobenzamide?
You can request a quote for N-(butan-2-yl)-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-(butan-2-yl)-3,5-dinitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(butan-2-yl)-3,5-dinitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.