2-Butoxy-1-methyl-4-nitrobenzene
TL;DR: 2-Butoxy-1-methyl-4-nitrobenzene (CAS 57264-52-5) is a chemical compound with molecular formula C11H15NO3 and molecular weight 209.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butoxy-1-methyl-4-nitrobenzene
Also Known As: 2-butoxy-1-methyl-4-nitrobenzene, 2-Butoxy-4-nitrotoluene, Benzene, 2-butoxy-1-methyl-4-nitro-, Benzene,2-butoxy-1-methyl-4-nitro
| Molecular Formula | C11H15NO3 |
|---|---|
| Molecular Weight | 209.11 g/mol |
| LogP | 3.08212 |
| Topological Polar Surface Area | 52.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 209.1052 |
| Heavy Atoms | 15 |
| Complexity | 349.6863 |
Chemical Identifiers
| CAS Number | 57264-52-5 |
|---|---|
| SMILES | CCCCOC1=C(C=CC(=C1)[N+](=O)[O-])C |
Product Overview
2-Butoxy-1-methyl-4-nitrobenzene (CAS 57264-52-5), with molecular formula C11H15NO3 and molecular weight 209.11 g/mol. IUPAC: 2-butoxy-1-methyl-4-nitrobenzene.
Chemical Property Profile of 2-Butoxy-1-methyl-4-nitrobenzene
Property Insights of 2-Butoxy-1-methyl-4-nitrobenzene
The XLogP value of 3.08212 indicates that 2-Butoxy-1-methyl-4-nitrobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.37 Ų, 2-Butoxy-1-methyl-4-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butoxy-1-methyl-4-nitrobenzene has 0 hydrogen bond donor(s) and 3 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-Butoxy-1-methyl-4-nitrobenzene?
The CAS number of 2-Butoxy-1-methyl-4-nitrobenzene is 57264-52-5.
What is the molecular formula of 2-Butoxy-1-methyl-4-nitrobenzene?
The molecular formula of 2-Butoxy-1-methyl-4-nitrobenzene is C11H15NO3.
What is the molecular weight of 2-Butoxy-1-methyl-4-nitrobenzene?
The molecular weight of 2-Butoxy-1-methyl-4-nitrobenzene is 209.11 g/mol.
Where can I buy 2-Butoxy-1-methyl-4-nitrobenzene?
You can request a quote for 2-Butoxy-1-methyl-4-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butoxy-1-methyl-4-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 2-Butoxy-1-methyl-4-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.