N-tert-butyl-4-chloro-2-nitrobenzamide
TL;DR: N-tert-butyl-4-chloro-2-nitrobenzamide (CAS 333346-60-4) is a chemical compound with molecular formula C11H13ClN2O3 and molecular weight 256.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-tert-butyl-4-chloro-2-nitrobenzamide
Also Known As: N-tert-butyl-4-chloro-2-nitrobenzamide, N-(tert-butyl)-4-chloro-2-nitrobenzamide, BAS 00783359, N-tert-Butyl-4-chloro-2-nitro-benzamide, N-(tert-butyl)(4-chloro-2-nitrophenyl)carboxamide
| Molecular Formula | C11H13ClN2O3 |
|---|---|
| Molecular Weight | 256.06 g/mol |
| LogP | 2.7765 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 256.06146 |
| Heavy Atoms | 17 |
| Complexity | 466.27463 |
Chemical Identifiers
| CAS Number | 333346-60-4 |
|---|---|
| SMILES | CC(C)(C)NC(=O)C1=C(C=C(C=C1)Cl)[N+](=O)[O-] |
Product Overview
N-tert-butyl-4-chloro-2-nitrobenzamide (CAS 333346-60-4), with molecular formula C11H13ClN2O3 and molecular weight 256.06 g/mol. IUPAC: N-tert-butyl-4-chloro-2-nitrobenzamide.
Chemical Property Profile of N-tert-butyl-4-chloro-2-nitrobenzamide
Property Insights of N-tert-butyl-4-chloro-2-nitrobenzamide
The XLogP value of 2.7765 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-tert-butyl-4-chloro-2-nitrobenzamide. The TPSA of 72.24 Ų falls within the moderate polarity range, balancing permeability and solubility for N-tert-butyl-4-chloro-2-nitrobenzamide. Following Lipinski's Rule of Five, N-tert-butyl-4-chloro-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-4-chloro-2-nitrobenzamide?
The CAS number of N-tert-butyl-4-chloro-2-nitrobenzamide is 333346-60-4.
What is the molecular formula of N-tert-butyl-4-chloro-2-nitrobenzamide?
The molecular formula of N-tert-butyl-4-chloro-2-nitrobenzamide is C11H13ClN2O3.
What is the molecular weight of N-tert-butyl-4-chloro-2-nitrobenzamide?
The molecular weight of N-tert-butyl-4-chloro-2-nitrobenzamide is 256.06 g/mol.
Where can I buy N-tert-butyl-4-chloro-2-nitrobenzamide?
You can request a quote for N-tert-butyl-4-chloro-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-4-chloro-2-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-tert-butyl-4-chloro-2-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.