1-Bromo-4-(2-methylamino-4-nitrophenoxy)-butane
TL;DR: 1-Bromo-4-(2-methylamino-4-nitrophenoxy)-butane (CAS 107954-02-9) is a chemical compound with molecular formula C11H15BrN2O3 and molecular weight 302.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromobutoxy)-N-methyl-5-nitroaniline
Also Known As: 2-(4-Bromobutoxy)-N-methyl-5-nitroaniline, 1-bromo-4-(2-methylamino-4-nitrophenoxy)butane, 2-(4-Bromobutoxy)-N-methyl-5-nitroaniline #, 1-Bromo-4-(2-methylamino-4-nitrophenoxy)-butane
| Molecular Formula | C11H15BrN2O3 |
|---|---|
| Molecular Weight | 302.03 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 67.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 302.0266 |
| Heavy Atoms | 17 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 107954-02-9 |
|---|---|
| SMILES | CNC1=C(C=CC(=C1)[N+](=O)[O-])OCCCCBr |
| InChIKey | YOCFNCRDSFVNTH-UHFFFAOYSA-N |
Product Overview
1-Bromo-4-(2-methylamino-4-nitrophenoxy)-butane (CAS 107954-02-9), with molecular formula C11H15BrN2O3 and molecular weight 302.03 g/mol. IUPAC: 2-(4-bromobutoxy)-N-methyl-5-nitroaniline.
Chemical Property Profile of 1-Bromo-4-(2-methylamino-4-nitrophenoxy)-butane
Property Insights of 1-Bromo-4-(2-methylamino-4-nitrophenoxy)-butane
The XLogP value of 3.2 indicates that 1-Bromo-4-(2-methylamino-4-nitrophenoxy)-butane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Bromo-4-(2-methylamino-4-nitrophenoxy)-butane. Following Lipinski's Rule of Five, 1-Bromo-4-(2-methylamino-4-nitrophenoxy)-butane has 1 hydrogen bond donor(s) and 4 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-Bromo-4-(2-methylamino-4-nitrophenoxy)-butane?
The CAS number of 1-Bromo-4-(2-methylamino-4-nitrophenoxy)-butane is 107954-02-9.
What is the molecular formula of 1-Bromo-4-(2-methylamino-4-nitrophenoxy)-butane?
The molecular formula of 1-Bromo-4-(2-methylamino-4-nitrophenoxy)-butane is C11H15BrN2O3.
What is the molecular weight of 1-Bromo-4-(2-methylamino-4-nitrophenoxy)-butane?
The molecular weight of 1-Bromo-4-(2-methylamino-4-nitrophenoxy)-butane is 302.03 g/mol.
Where can I buy 1-Bromo-4-(2-methylamino-4-nitrophenoxy)-butane?
You can request a quote for 1-Bromo-4-(2-methylamino-4-nitrophenoxy)-butane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Bromo-4-(2-methylamino-4-nitrophenoxy)-butane?
Yes, KEHONG BIO provides custom synthesis services for 1-Bromo-4-(2-methylamino-4-nitrophenoxy)-butane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.