N-(butan-2-yl)-2-methyl-3-nitrobenzamide
TL;DR: N-(butan-2-yl)-2-methyl-3-nitrobenzamide (CAS 51186-28-8) 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.
N-butan-2-yl-2-methyl-3-nitrobenzamide
Also Known As: N-(butan-2-yl)-2-methyl-3-nitrobenzamide, N-butan-2-yl-2-methyl-3-nitrobenzamide, N-(sec-butyl)-2-methyl-3-nitrobenzamide, VU0509848-1, AB00683036-01
| Molecular Formula | C12H16N2O3 |
|---|---|
| Molecular Weight | 236.12 g/mol |
| LogP | 2.43152 |
| 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 | 443.37692 |
Chemical Identifiers
| CAS Number | 51186-28-8 |
|---|---|
| SMILES | CCC(C)NC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])C |
Product Overview
N-(butan-2-yl)-2-methyl-3-nitrobenzamide (CAS 51186-28-8), with molecular formula C12H16N2O3 and molecular weight 236.12 g/mol. IUPAC: N-butan-2-yl-2-methyl-3-nitrobenzamide.
Chemical Property Profile of N-(butan-2-yl)-2-methyl-3-nitrobenzamide
Property Insights of N-(butan-2-yl)-2-methyl-3-nitrobenzamide
The XLogP value of 2.43152 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(butan-2-yl)-2-methyl-3-nitrobenzamide. The TPSA of 72.24 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(butan-2-yl)-2-methyl-3-nitrobenzamide. Following Lipinski's Rule of Five, N-(butan-2-yl)-2-methyl-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 N-(butan-2-yl)-2-methyl-3-nitrobenzamide?
The CAS number of N-(butan-2-yl)-2-methyl-3-nitrobenzamide is 51186-28-8.
What is the molecular formula of N-(butan-2-yl)-2-methyl-3-nitrobenzamide?
The molecular formula of N-(butan-2-yl)-2-methyl-3-nitrobenzamide is C12H16N2O3.
What is the molecular weight of N-(butan-2-yl)-2-methyl-3-nitrobenzamide?
The molecular weight of N-(butan-2-yl)-2-methyl-3-nitrobenzamide is 236.12 g/mol.
Where can I buy N-(butan-2-yl)-2-methyl-3-nitrobenzamide?
You can request a quote for N-(butan-2-yl)-2-methyl-3-nitrobenzamide 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)-2-methyl-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(butan-2-yl)-2-methyl-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.