N-tert-butyl-4,5-dimethoxy-2-nitrobenzamide
TL;DR: N-tert-butyl-4,5-dimethoxy-2-nitrobenzamide (CAS 349411-67-2) is a chemical compound with molecular formula C13H18N2O5 and molecular weight 282.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-tert-butyl-4,5-dimethoxy-2-nitrobenzamide
Also Known As: N-tert-butyl-4,5-dimethoxy-2-nitrobenzamide, AB00100042-01, (4,5-dimethoxy-2-nitrophenyl)-N-(tert-butyl)carboxamide, N-(TERT-BUTYL)-4,5-DIMETHOXY-2-NITROBENZAMIDE
| Molecular Formula | C13H18N2O5 |
|---|---|
| Molecular Weight | 282.12 g/mol |
| LogP | 2.1403 |
| Topological Polar Surface Area | 90.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 282.12158 |
| Heavy Atoms | 20 |
| Complexity | 534.29846 |
Chemical Identifiers
| CAS Number | 349411-67-2 |
|---|---|
| SMILES | CC(C)(C)NC(=O)C1=CC(=C(C=C1[N+](=O)[O-])OC)OC |
Product Overview
N-tert-butyl-4,5-dimethoxy-2-nitrobenzamide (CAS 349411-67-2), with molecular formula C13H18N2O5 and molecular weight 282.12 g/mol. IUPAC: N-tert-butyl-4,5-dimethoxy-2-nitrobenzamide.
Chemical Property Profile of N-tert-butyl-4,5-dimethoxy-2-nitrobenzamide
Property Insights of N-tert-butyl-4,5-dimethoxy-2-nitrobenzamide
The XLogP value of 2.1403 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-tert-butyl-4,5-dimethoxy-2-nitrobenzamide. The TPSA of 90.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-tert-butyl-4,5-dimethoxy-2-nitrobenzamide. Following Lipinski's Rule of Five, N-tert-butyl-4,5-dimethoxy-2-nitrobenzamide has 1 hydrogen bond donor(s) and 5 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-4,5-dimethoxy-2-nitrobenzamide?
The CAS number of N-tert-butyl-4,5-dimethoxy-2-nitrobenzamide is 349411-67-2.
What is the molecular formula of N-tert-butyl-4,5-dimethoxy-2-nitrobenzamide?
The molecular formula of N-tert-butyl-4,5-dimethoxy-2-nitrobenzamide is C13H18N2O5.
What is the molecular weight of N-tert-butyl-4,5-dimethoxy-2-nitrobenzamide?
The molecular weight of N-tert-butyl-4,5-dimethoxy-2-nitrobenzamide is 282.12 g/mol.
Where can I buy N-tert-butyl-4,5-dimethoxy-2-nitrobenzamide?
You can request a quote for N-tert-butyl-4,5-dimethoxy-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-4,5-dimethoxy-2-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-tert-butyl-4,5-dimethoxy-2-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.