4-((4-(tert-Butyl)phenoxy)methyl)-5-nitroveratrole
TL;DR: 4-((4-(tert-Butyl)phenoxy)methyl)-5-nitroveratrole (CAS 71302-58-4) is a chemical compound with molecular formula C19H23NO5 and molecular weight 345.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-tert-butylphenoxy)methyl]-4,5-dimethoxy-2-nitrobenzene
Also Known As: EINECS 275-310-4, 4-((4-(tert-Butyl)phenoxy)methyl)-5-nitroveratrole, 4-[[4-(TERT-BUTYL)PHENOXY]METHYL]-5-NITROVERATROLE, 1-[(4-tert-butylphenoxy)methyl]-4,5-dimethoxy-2-nitrobenzene, 1-[[4-(1,1-Dimethylethyl)phenoxy]methyl]-4,5-dimethoxy-2-nitrobenzene
| Molecular Formula | C19H23NO5 |
|---|---|
| Molecular Weight | 345.16 g/mol |
| LogP | 4.4885 |
| Topological Polar Surface Area | 70.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 345.15762 |
| Heavy Atoms | 25 |
| Complexity | 747.64514 |
Chemical Identifiers
| CAS Number | 71302-58-4 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)OCC2=CC(=C(C=C2[N+](=O)[O-])OC)OC |
Product Overview
4-((4-(tert-Butyl)phenoxy)methyl)-5-nitroveratrole (CAS 71302-58-4), with molecular formula C19H23NO5 and molecular weight 345.16 g/mol. IUPAC: 1-[(4-tert-butylphenoxy)methyl]-4,5-dimethoxy-2-nitrobenzene.
Chemical Property Profile of 4-((4-(tert-Butyl)phenoxy)methyl)-5-nitroveratrole
Property Insights of 4-((4-(tert-Butyl)phenoxy)methyl)-5-nitroveratrole
The XLogP value of 4.4885 indicates that 4-((4-(tert-Butyl)phenoxy)methyl)-5-nitroveratrole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((4-(tert-Butyl)phenoxy)methyl)-5-nitroveratrole. Following Lipinski's Rule of Five, 4-((4-(tert-Butyl)phenoxy)methyl)-5-nitroveratrole has 0 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 4-((4-(tert-Butyl)phenoxy)methyl)-5-nitroveratrole?
The CAS number of 4-((4-(tert-Butyl)phenoxy)methyl)-5-nitroveratrole is 71302-58-4.
What is the molecular formula of 4-((4-(tert-Butyl)phenoxy)methyl)-5-nitroveratrole?
The molecular formula of 4-((4-(tert-Butyl)phenoxy)methyl)-5-nitroveratrole is C19H23NO5.
What is the molecular weight of 4-((4-(tert-Butyl)phenoxy)methyl)-5-nitroveratrole?
The molecular weight of 4-((4-(tert-Butyl)phenoxy)methyl)-5-nitroveratrole is 345.16 g/mol.
Where can I buy 4-((4-(tert-Butyl)phenoxy)methyl)-5-nitroveratrole?
You can request a quote for 4-((4-(tert-Butyl)phenoxy)methyl)-5-nitroveratrole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((4-(tert-Butyl)phenoxy)methyl)-5-nitroveratrole?
Yes, KEHONG BIO provides custom synthesis services for 4-((4-(tert-Butyl)phenoxy)methyl)-5-nitroveratrole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.