N-(tert-butyl)-N-cyclohexyl-2-nitrobenzamide
TL;DR: N-(tert-butyl)-N-cyclohexyl-2-nitrobenzamide (CAS 91135-64-7) is a chemical compound with molecular formula C11H8N2O3 and molecular weight 216.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-nitrophenyl)-(1H-pyrrol-2-yl)methanone
Also Known As: 2-(2-nitrobenzoyl)-1H-pyrrole, (2-nitrophenyl)(1H-pyrrol-2-yl)methanone, N-(tert-butyl)-N-cyclohexyl-2-nitrobenzamide, (2-Nitrophenyl)(1H-pyrrole-2-yl) ketone, (2-nitrophenyl)-(1H-pyrrol-2-yl)methanone
| Molecular Formula | C11H8N2O3 |
|---|---|
| Molecular Weight | 216.05 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 78.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.0535 |
| Heavy Atoms | 16 |
| Complexity | 287.0 |
Chemical Identifiers
| CAS Number | 91135-64-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)C2=CC=CN2)[N+](=O)[O-] |
| InChIKey | OKWUDSXRCXZZCY-UHFFFAOYSA-N |
Product Overview
N-(tert-butyl)-N-cyclohexyl-2-nitrobenzamide (CAS 91135-64-7), with molecular formula C11H8N2O3 and molecular weight 216.05 g/mol. IUPAC: (2-nitrophenyl)-(1H-pyrrol-2-yl)methanone.
Chemical Property Profile of N-(tert-butyl)-N-cyclohexyl-2-nitrobenzamide
Property Insights of N-(tert-butyl)-N-cyclohexyl-2-nitrobenzamide
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(tert-butyl)-N-cyclohexyl-2-nitrobenzamide. The TPSA of 78.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(tert-butyl)-N-cyclohexyl-2-nitrobenzamide. Following Lipinski's Rule of Five, N-(tert-butyl)-N-cyclohexyl-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 N-(tert-butyl)-N-cyclohexyl-2-nitrobenzamide?
The CAS number of N-(tert-butyl)-N-cyclohexyl-2-nitrobenzamide is 91135-64-7.
What is the molecular formula of N-(tert-butyl)-N-cyclohexyl-2-nitrobenzamide?
The molecular formula of N-(tert-butyl)-N-cyclohexyl-2-nitrobenzamide is C11H8N2O3.
What is the molecular weight of N-(tert-butyl)-N-cyclohexyl-2-nitrobenzamide?
The molecular weight of N-(tert-butyl)-N-cyclohexyl-2-nitrobenzamide is 216.05 g/mol.
Where can I buy N-(tert-butyl)-N-cyclohexyl-2-nitrobenzamide?
You can request a quote for N-(tert-butyl)-N-cyclohexyl-2-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(tert-butyl)-N-cyclohexyl-2-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(tert-butyl)-N-cyclohexyl-2-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.