Benzene, 2-(1,1-dimethylethyl)-5-methoxy-1,3-dinitro-
TL;DR: Benzene, 2-(1,1-dimethylethyl)-5-methoxy-1,3-dinitro- (CAS 79657-84-4) is a chemical compound with molecular formula C11H14N2O5 and molecular weight 254.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-5-methoxy-1,3-dinitrobenzene
Also Known As: 4-t-butyl-3,5-dinitroanisole, 2-tert-butyl-5-methoxy-1,3-dinitrobenzene, Benzene, 2-(1,1-dimethylethyl)-5-methoxy-1,3-dinitro-, 5-methoxy-1,3-dinitro-2-tert-butyl-benzene, RefChem:323871
| Molecular Formula | C11H14N2O5 |
|---|---|
| Molecular Weight | 254.09 g/mol |
| LogP | 2.8091 |
| Topological Polar Surface Area | 95.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 254.09027 |
| Heavy Atoms | 18 |
| Complexity | 469.6404 |
Chemical Identifiers
| CAS Number | 79657-84-4 |
|---|---|
| SMILES | CC(C)(C)C1=C(C=C(C=C1[N+](=O)[O-])OC)[N+](=O)[O-] |
Product Overview
Benzene, 2-(1,1-dimethylethyl)-5-methoxy-1,3-dinitro- (CAS 79657-84-4), with molecular formula C11H14N2O5 and molecular weight 254.09 g/mol. IUPAC: 2-tert-butyl-5-methoxy-1,3-dinitrobenzene.
Chemical Property Profile of Benzene, 2-(1,1-dimethylethyl)-5-methoxy-1,3-dinitro-
Property Insights of Benzene, 2-(1,1-dimethylethyl)-5-methoxy-1,3-dinitro-
The XLogP value of 2.8091 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzene, 2-(1,1-dimethylethyl)-5-methoxy-1,3-dinitro-. The TPSA of 95.51 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzene, 2-(1,1-dimethylethyl)-5-methoxy-1,3-dinitro-. Following Lipinski's Rule of Five, Benzene, 2-(1,1-dimethylethyl)-5-methoxy-1,3-dinitro- 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 Benzene, 2-(1,1-dimethylethyl)-5-methoxy-1,3-dinitro-?
The CAS number of Benzene, 2-(1,1-dimethylethyl)-5-methoxy-1,3-dinitro- is 79657-84-4.
What is the molecular formula of Benzene, 2-(1,1-dimethylethyl)-5-methoxy-1,3-dinitro-?
The molecular formula of Benzene, 2-(1,1-dimethylethyl)-5-methoxy-1,3-dinitro- is C11H14N2O5.
What is the molecular weight of Benzene, 2-(1,1-dimethylethyl)-5-methoxy-1,3-dinitro-?
The molecular weight of Benzene, 2-(1,1-dimethylethyl)-5-methoxy-1,3-dinitro- is 254.09 g/mol.
Where can I buy Benzene, 2-(1,1-dimethylethyl)-5-methoxy-1,3-dinitro-?
You can request a quote for Benzene, 2-(1,1-dimethylethyl)-5-methoxy-1,3-dinitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 2-(1,1-dimethylethyl)-5-methoxy-1,3-dinitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 2-(1,1-dimethylethyl)-5-methoxy-1,3-dinitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.