1-Tert-butyl-4-methoxy-2-methyl-3,5-dinitrobenzene
TL;DR: 1-Tert-butyl-4-methoxy-2-methyl-3,5-dinitrobenzene (CAS 481-78-7) is a chemical compound with molecular formula C12H16N2O5 and molecular weight 268.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butyl-4-methoxy-2-methyl-3,5-dinitrobenzene
Also Known As: 1-tert-butyl-4-methoxy-2-methyl-3,5-dinitrobenzene, 4-tert-butyl-3-methyl-2,6-dinitro-anisole, 2-methoxy-4-methyl-1,3-dinitro-5-tert-butyl-benzene
| Molecular Formula | C12H16N2O5 |
|---|---|
| Molecular Weight | 268.11 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.10593 |
| Heavy Atoms | 19 |
| Complexity | 355.0 |
Chemical Identifiers
| CAS Number | 481-78-7 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1C(C)(C)C)[N+](=O)[O-])OC)[N+](=O)[O-] |
| InChIKey | HSWDCZSBXABAPP-UHFFFAOYSA-N |
Product Overview
1-Tert-butyl-4-methoxy-2-methyl-3,5-dinitrobenzene (CAS 481-78-7), with molecular formula C12H16N2O5 and molecular weight 268.11 g/mol. IUPAC: 1-tert-butyl-4-methoxy-2-methyl-3,5-dinitrobenzene.
Chemical Property Profile of 1-Tert-butyl-4-methoxy-2-methyl-3,5-dinitrobenzene
Property Insights of 1-Tert-butyl-4-methoxy-2-methyl-3,5-dinitrobenzene
The XLogP value of 3.6 indicates that 1-Tert-butyl-4-methoxy-2-methyl-3,5-dinitrobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Tert-butyl-4-methoxy-2-methyl-3,5-dinitrobenzene. Following Lipinski's Rule of Five, 1-Tert-butyl-4-methoxy-2-methyl-3,5-dinitrobenzene 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 1-Tert-butyl-4-methoxy-2-methyl-3,5-dinitrobenzene?
The CAS number of 1-Tert-butyl-4-methoxy-2-methyl-3,5-dinitrobenzene is 481-78-7.
What is the molecular formula of 1-Tert-butyl-4-methoxy-2-methyl-3,5-dinitrobenzene?
The molecular formula of 1-Tert-butyl-4-methoxy-2-methyl-3,5-dinitrobenzene is C12H16N2O5.
What is the molecular weight of 1-Tert-butyl-4-methoxy-2-methyl-3,5-dinitrobenzene?
The molecular weight of 1-Tert-butyl-4-methoxy-2-methyl-3,5-dinitrobenzene is 268.11 g/mol.
Where can I buy 1-Tert-butyl-4-methoxy-2-methyl-3,5-dinitrobenzene?
You can request a quote for 1-Tert-butyl-4-methoxy-2-methyl-3,5-dinitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Tert-butyl-4-methoxy-2-methyl-3,5-dinitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Tert-butyl-4-methoxy-2-methyl-3,5-dinitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.