3-methyl-N-(2-methylbutan-2-yl)-2-nitrobenzamide
TL;DR: 3-methyl-N-(2-methylbutan-2-yl)-2-nitrobenzamide (CAS 701222-80-2) is a chemical compound with molecular formula C13H18N2O3 and molecular weight 250.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-N-(2-methylbutan-2-yl)-2-nitrobenzamide
Also Known As: 3-methyl-N-(2-methylbutan-2-yl)-2-nitrobenzamide, 3-METHYL-2-NITRO-N-(TERT-PENTYL)BENZAMIDE, N-(1,1-dimethylpropyl)(3-methyl-2-nitrophenyl)carboxamide
| Molecular Formula | C13H18N2O3 |
|---|---|
| Molecular Weight | 250.13 g/mol |
| LogP | 2.82162 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 250.13174 |
| Heavy Atoms | 18 |
| Complexity | 481.12476 |
Chemical Identifiers
| CAS Number | 701222-80-2 |
|---|---|
| SMILES | CCC(C)(C)NC(=O)C1=CC=CC(=C1[N+](=O)[O-])C |
Product Overview
3-methyl-N-(2-methylbutan-2-yl)-2-nitrobenzamide (CAS 701222-80-2), with molecular formula C13H18N2O3 and molecular weight 250.13 g/mol. IUPAC: 3-methyl-N-(2-methylbutan-2-yl)-2-nitrobenzamide.
Chemical Property Profile of 3-methyl-N-(2-methylbutan-2-yl)-2-nitrobenzamide
Property Insights of 3-methyl-N-(2-methylbutan-2-yl)-2-nitrobenzamide
The XLogP value of 2.82162 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-N-(2-methylbutan-2-yl)-2-nitrobenzamide. The TPSA of 72.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-N-(2-methylbutan-2-yl)-2-nitrobenzamide. Following Lipinski's Rule of Five, 3-methyl-N-(2-methylbutan-2-yl)-2-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-methylbutan-2-yl)-2-nitrobenzamide?
The CAS number of 3-methyl-N-(2-methylbutan-2-yl)-2-nitrobenzamide is 701222-80-2.
What is the molecular formula of 3-methyl-N-(2-methylbutan-2-yl)-2-nitrobenzamide?
The molecular formula of 3-methyl-N-(2-methylbutan-2-yl)-2-nitrobenzamide is C13H18N2O3.
What is the molecular weight of 3-methyl-N-(2-methylbutan-2-yl)-2-nitrobenzamide?
The molecular weight of 3-methyl-N-(2-methylbutan-2-yl)-2-nitrobenzamide is 250.13 g/mol.
Where can I buy 3-methyl-N-(2-methylbutan-2-yl)-2-nitrobenzamide?
You can request a quote for 3-methyl-N-(2-methylbutan-2-yl)-2-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-methylbutan-2-yl)-2-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-N-(2-methylbutan-2-yl)-2-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.