3-methyl-N-(2-methylpropyl)-4-nitrobenzamide
TL;DR: 3-methyl-N-(2-methylpropyl)-4-nitrobenzamide (CAS 329940-92-3) 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.
3-methyl-N-(2-methylpropyl)-4-nitrobenzamide
Also Known As: 4-nitro-N-isobutyl-3-methylbenzamide, BAS 00785264, 3-methyl-N-(2-methylpropyl)-4-nitrobenzamide, N-Isobutyl-3-methyl-4-nitro-benzamide, N-ISOBUTYL-3-METHYL-4-NITROBENZAMIDE
| Molecular Formula | C12H16N2O3 |
|---|---|
| Molecular Weight | 236.12 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 74.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 236.11609 |
| Heavy Atoms | 17 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 329940-92-3 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C(=O)NCC(C)C)[N+](=O)[O-] |
| InChIKey | LHRLXDYTOOESDD-UHFFFAOYSA-N |
Product Overview
3-methyl-N-(2-methylpropyl)-4-nitrobenzamide (CAS 329940-92-3), with molecular formula C12H16N2O3 and molecular weight 236.12 g/mol. IUPAC: 3-methyl-N-(2-methylpropyl)-4-nitrobenzamide.
Chemical Property Profile of 3-methyl-N-(2-methylpropyl)-4-nitrobenzamide
Property Insights of 3-methyl-N-(2-methylpropyl)-4-nitrobenzamide
The XLogP value of 3.4 indicates that 3-methyl-N-(2-methylpropyl)-4-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-N-(2-methylpropyl)-4-nitrobenzamide. Following Lipinski's Rule of Five, 3-methyl-N-(2-methylpropyl)-4-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 3-methyl-N-(2-methylpropyl)-4-nitrobenzamide?
The CAS number of 3-methyl-N-(2-methylpropyl)-4-nitrobenzamide is 329940-92-3.
What is the molecular formula of 3-methyl-N-(2-methylpropyl)-4-nitrobenzamide?
The molecular formula of 3-methyl-N-(2-methylpropyl)-4-nitrobenzamide is C12H16N2O3.
What is the molecular weight of 3-methyl-N-(2-methylpropyl)-4-nitrobenzamide?
The molecular weight of 3-methyl-N-(2-methylpropyl)-4-nitrobenzamide is 236.12 g/mol.
Where can I buy 3-methyl-N-(2-methylpropyl)-4-nitrobenzamide?
You can request a quote for 3-methyl-N-(2-methylpropyl)-4-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methyl-N-(2-methylpropyl)-4-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-N-(2-methylpropyl)-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.