Benzene, 2-(1,1-dimethylethyl)-4-methoxy-5-methyl-1,3-dinitro-
TL;DR: Benzene, 2-(1,1-dimethylethyl)-4-methoxy-5-methyl-1,3-dinitro- (CAS 99758-79-9) 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.
4-tert-butyl-2-methoxy-1-methyl-3,5-dinitrobenzene
Also Known As: 3-tert-butyl-6-methyl-2,4-dinitro-anisole, 2-tert-butyl-4-methoxy-5-methyl-1,3-dinitrobenzene, 4-tert-butyl-2-methoxy-1-methyl-3,5-dinitrobenzene, Benzene, 2-(1,1-dimethylethyl)-4-methoxy-5-methyl-1,3-dinitro-, 1-tert-Butyl-4-methyl-3-methoxy-2,6-dinitrobenzene
| 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 | 99758-79-9 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1OC)[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-] |
| InChIKey | YHFKPMJWBHTUDN-UHFFFAOYSA-N |
Product Overview
Benzene, 2-(1,1-dimethylethyl)-4-methoxy-5-methyl-1,3-dinitro- (CAS 99758-79-9), with molecular formula C12H16N2O5 and molecular weight 268.11 g/mol. IUPAC: 4-tert-butyl-2-methoxy-1-methyl-3,5-dinitrobenzene.
Chemical Property Profile of Benzene, 2-(1,1-dimethylethyl)-4-methoxy-5-methyl-1,3-dinitro-
Property Insights of Benzene, 2-(1,1-dimethylethyl)-4-methoxy-5-methyl-1,3-dinitro-
The XLogP value of 3.6 indicates that Benzene, 2-(1,1-dimethylethyl)-4-methoxy-5-methyl-1,3-dinitro- 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 Benzene, 2-(1,1-dimethylethyl)-4-methoxy-5-methyl-1,3-dinitro-. Following Lipinski's Rule of Five, Benzene, 2-(1,1-dimethylethyl)-4-methoxy-5-methyl-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)-4-methoxy-5-methyl-1,3-dinitro-?
The CAS number of Benzene, 2-(1,1-dimethylethyl)-4-methoxy-5-methyl-1,3-dinitro- is 99758-79-9.
What is the molecular formula of Benzene, 2-(1,1-dimethylethyl)-4-methoxy-5-methyl-1,3-dinitro-?
The molecular formula of Benzene, 2-(1,1-dimethylethyl)-4-methoxy-5-methyl-1,3-dinitro- is C12H16N2O5.
What is the molecular weight of Benzene, 2-(1,1-dimethylethyl)-4-methoxy-5-methyl-1,3-dinitro-?
The molecular weight of Benzene, 2-(1,1-dimethylethyl)-4-methoxy-5-methyl-1,3-dinitro- is 268.11 g/mol.
Where can I buy Benzene, 2-(1,1-dimethylethyl)-4-methoxy-5-methyl-1,3-dinitro-?
You can request a quote for Benzene, 2-(1,1-dimethylethyl)-4-methoxy-5-methyl-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)-4-methoxy-5-methyl-1,3-dinitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 2-(1,1-dimethylethyl)-4-methoxy-5-methyl-1,3-dinitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.