2-methyl-N-(2-methylpropyl)-3-nitrobenzamide
TL;DR: 2-methyl-N-(2-methylpropyl)-3-nitrobenzamide (CAS 349396-34-5) is a chemical compound with molecular formula C12H16N2O3 and molecular weight 236.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-N-(2-methylpropyl)-3-nitrobenzamide
Also Known As: 2-methyl-N-(2-methylpropyl)-3-nitrobenzamide, N-ISOBUTYL-2-METHYL-3-NITROBENZAMIDE, 2-methyl-N-(2-methylpropyl)-3-nitro-benzamide, (2-methyl-3-nitrophenyl)-N-(2-methylpropyl)carboxamide
| Molecular Formula | C12H16N2O3 |
|---|---|
| Molecular Weight | 236.12 g/mol |
| LogP | 2.28902 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 236.11609 |
| Heavy Atoms | 17 |
| Complexity | 441.37692 |
Chemical Identifiers
| CAS Number | 349396-34-5 |
|---|---|
| SMILES | CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCC(C)C |
Product Overview
2-methyl-N-(2-methylpropyl)-3-nitrobenzamide (CAS 349396-34-5), with molecular formula C12H16N2O3 and molecular weight 236.12 g/mol. IUPAC: 2-methyl-N-(2-methylpropyl)-3-nitrobenzamide.
Chemical Property Profile of 2-methyl-N-(2-methylpropyl)-3-nitrobenzamide
Property Insights of 2-methyl-N-(2-methylpropyl)-3-nitrobenzamide
The XLogP value of 2.28902 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-methyl-N-(2-methylpropyl)-3-nitrobenzamide. The TPSA of 72.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-methyl-N-(2-methylpropyl)-3-nitrobenzamide. Following Lipinski's Rule of Five, 2-methyl-N-(2-methylpropyl)-3-nitrobenzamide has 1 hydrogen bond donor(s) and 3 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 2-methyl-N-(2-methylpropyl)-3-nitrobenzamide?
The CAS number of 2-methyl-N-(2-methylpropyl)-3-nitrobenzamide is 349396-34-5.
What is the molecular formula of 2-methyl-N-(2-methylpropyl)-3-nitrobenzamide?
The molecular formula of 2-methyl-N-(2-methylpropyl)-3-nitrobenzamide is C12H16N2O3.
What is the molecular weight of 2-methyl-N-(2-methylpropyl)-3-nitrobenzamide?
The molecular weight of 2-methyl-N-(2-methylpropyl)-3-nitrobenzamide is 236.12 g/mol.
Where can I buy 2-methyl-N-(2-methylpropyl)-3-nitrobenzamide?
You can request a quote for 2-methyl-N-(2-methylpropyl)-3-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-methyl-N-(2-methylpropyl)-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-methyl-N-(2-methylpropyl)-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.