2-tert-Butyl-4,6-dinitroanisole
TL;DR: 2-tert-Butyl-4,6-dinitroanisole (CAS 6099-80-5) 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.
1-tert-butyl-2-methoxy-3,5-dinitrobenzene
Also Known As: 2-tert-Butyl-4,6-dinitroanisole, DINOTERB-METHYL ETHER, DINOTERB-METHYLETHER, 1-tert-butyl-2-methoxy-3,5-dinitrobenzene, 2-tert-butyl-4,6-dinitro-anisole
| Molecular Formula | C11H14N2O5 |
|---|---|
| Molecular Weight | 254.09 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 254.09027 |
| Heavy Atoms | 18 |
| Complexity | 328.0 |
Chemical Identifiers
| CAS Number | 6099-80-5 |
|---|---|
| SMILES | CC(C)(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])OC |
| InChIKey | WDRYOUPJEPKJGH-UHFFFAOYSA-N |
Product Overview
2-tert-Butyl-4,6-dinitroanisole (CAS 6099-80-5), with molecular formula C11H14N2O5 and molecular weight 254.09 g/mol. IUPAC: 1-tert-butyl-2-methoxy-3,5-dinitrobenzene.
Chemical Property Profile of 2-tert-Butyl-4,6-dinitroanisole
Property Insights of 2-tert-Butyl-4,6-dinitroanisole
The XLogP value of 3.2 indicates that 2-tert-Butyl-4,6-dinitroanisole 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 2-tert-Butyl-4,6-dinitroanisole. Following Lipinski's Rule of Five, 2-tert-Butyl-4,6-dinitroanisole 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 2-tert-Butyl-4,6-dinitroanisole?
The CAS number of 2-tert-Butyl-4,6-dinitroanisole is 6099-80-5.
What is the molecular formula of 2-tert-Butyl-4,6-dinitroanisole?
The molecular formula of 2-tert-Butyl-4,6-dinitroanisole is C11H14N2O5.
What is the molecular weight of 2-tert-Butyl-4,6-dinitroanisole?
The molecular weight of 2-tert-Butyl-4,6-dinitroanisole is 254.09 g/mol.
Where can I buy 2-tert-Butyl-4,6-dinitroanisole?
You can request a quote for 2-tert-Butyl-4,6-dinitroanisole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-tert-Butyl-4,6-dinitroanisole?
Yes, KEHONG BIO provides custom synthesis services for 2-tert-Butyl-4,6-dinitroanisole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.