1-(Butan-2-yl)-2-methoxy-3,5-dinitrobenzene
TL;DR: 1-(Butan-2-yl)-2-methoxy-3,5-dinitrobenzene (CAS 6099-79-2) 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-butan-2-yl-2-methoxy-3,5-dinitrobenzene
Also Known As: Dinoseb methyl ether, Dinoseb-methyl ether, DNBPME, Dinoseb, methyl ether, Dinoseb methyl ester
| Molecular Formula | C11H14N2O5 |
|---|---|
| Molecular Weight | 254.09 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 254.09027 |
| Heavy Atoms | 18 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 6099-79-2 |
|---|---|
| SMILES | CCC(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])OC |
| InChIKey | UVYHORVGKZXEMP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(Butan-2-yl)-2-methoxy-3,5-dinitrobenzene (CAS 6099-79-2), with molecular formula C11H14N2O5 and molecular weight 254.09 g/mol. IUPAC: 1-butan-2-yl-2-methoxy-3,5-dinitrobenzene.
Chemical Property Profile of 1-(Butan-2-yl)-2-methoxy-3,5-dinitrobenzene
Property Insights of 1-(Butan-2-yl)-2-methoxy-3,5-dinitrobenzene
The XLogP value of 3.3 indicates that 1-(Butan-2-yl)-2-methoxy-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-(Butan-2-yl)-2-methoxy-3,5-dinitrobenzene. Following Lipinski's Rule of Five, 1-(Butan-2-yl)-2-methoxy-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-(Butan-2-yl)-2-methoxy-3,5-dinitrobenzene?
The CAS number of 1-(Butan-2-yl)-2-methoxy-3,5-dinitrobenzene is 6099-79-2.
What is the molecular formula of 1-(Butan-2-yl)-2-methoxy-3,5-dinitrobenzene?
The molecular formula of 1-(Butan-2-yl)-2-methoxy-3,5-dinitrobenzene is C11H14N2O5.
What is the molecular weight of 1-(Butan-2-yl)-2-methoxy-3,5-dinitrobenzene?
The molecular weight of 1-(Butan-2-yl)-2-methoxy-3,5-dinitrobenzene is 254.09 g/mol.
Where can I buy 1-(Butan-2-yl)-2-methoxy-3,5-dinitrobenzene?
You can request a quote for 1-(Butan-2-yl)-2-methoxy-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-(Butan-2-yl)-2-methoxy-3,5-dinitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(Butan-2-yl)-2-methoxy-3,5-dinitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.