N-(3-methylbutyl)-3,5-dinitrobenzamide
TL;DR: N-(3-methylbutyl)-3,5-dinitrobenzamide (CAS 14402-05-2) is a chemical compound with molecular formula C12H15N3O5 and molecular weight 281.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-methylbutyl)-3,5-dinitrobenzamide
Also Known As: 3,5-dinitro-N-isopentylbenzamide, N-(3-methylbutyl)-3,5-dinitrobenzamide, N-ISOPENTYL-3,5-DINITROBENZAMIDE, (3,5-dinitrophenyl)-N-(3-methylbutyl)carboxamide
| Molecular Formula | C12H15N3O5 |
|---|---|
| Molecular Weight | 281.10 g/mol |
| LogP | 2.2789 |
| Topological Polar Surface Area | 115.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 281.10117 |
| Heavy Atoms | 20 |
| Complexity | 509.64438 |
Chemical Identifiers
| CAS Number | 14402-05-2 |
|---|---|
| SMILES | CC(C)CCNC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
N-(3-methylbutyl)-3,5-dinitrobenzamide (CAS 14402-05-2), with molecular formula C12H15N3O5 and molecular weight 281.10 g/mol. IUPAC: N-(3-methylbutyl)-3,5-dinitrobenzamide.
Chemical Property Profile of N-(3-methylbutyl)-3,5-dinitrobenzamide
Property Insights of N-(3-methylbutyl)-3,5-dinitrobenzamide
The XLogP value of 2.2789 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-methylbutyl)-3,5-dinitrobenzamide. The TPSA of 115.38 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-methylbutyl)-3,5-dinitrobenzamide. Following Lipinski's Rule of Five, N-(3-methylbutyl)-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-(3-methylbutyl)-3,5-dinitrobenzamide?
The CAS number of N-(3-methylbutyl)-3,5-dinitrobenzamide is 14402-05-2.
What is the molecular formula of N-(3-methylbutyl)-3,5-dinitrobenzamide?
The molecular formula of N-(3-methylbutyl)-3,5-dinitrobenzamide is C12H15N3O5.
What is the molecular weight of N-(3-methylbutyl)-3,5-dinitrobenzamide?
The molecular weight of N-(3-methylbutyl)-3,5-dinitrobenzamide is 281.10 g/mol.
Where can I buy N-(3-methylbutyl)-3,5-dinitrobenzamide?
You can request a quote for N-(3-methylbutyl)-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-(3-methylbutyl)-3,5-dinitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-methylbutyl)-3,5-dinitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.