4-(2-Bromoethoxy)-2-methyl-1-nitrobenzene
TL;DR: 4-(2-Bromoethoxy)-2-methyl-1-nitrobenzene (CAS 31066-19-0) is a chemical compound with molecular formula C9H10BrNO3 and molecular weight 258.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-bromoethoxy)-2-methyl-1-nitrobenzene
Also Known As: 4-(2-bromoethoxy)-2-methyl-1-nitrobenzene, 4-(2-Bromo-ethoxy)-2-methyl-1-nitro-benzene
| Molecular Formula | C9H10BrNO3 |
|---|---|
| Molecular Weight | 258.98 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 258.9844 |
| Heavy Atoms | 14 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 31066-19-0 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)OCCBr)[N+](=O)[O-] |
| InChIKey | GKEWOEIXHHYPKY-UHFFFAOYSA-N |
Product Overview
4-(2-Bromoethoxy)-2-methyl-1-nitrobenzene (CAS 31066-19-0), with molecular formula C9H10BrNO3 and molecular weight 258.98 g/mol. IUPAC: 4-(2-bromoethoxy)-2-methyl-1-nitrobenzene.
Chemical Property Profile of 4-(2-Bromoethoxy)-2-methyl-1-nitrobenzene
Property Insights of 4-(2-Bromoethoxy)-2-methyl-1-nitrobenzene
The XLogP value of 3.6 indicates that 4-(2-Bromoethoxy)-2-methyl-1-nitrobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.1 Ų, 4-(2-Bromoethoxy)-2-methyl-1-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2-Bromoethoxy)-2-methyl-1-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 4-(2-Bromoethoxy)-2-methyl-1-nitrobenzene?
The CAS number of 4-(2-Bromoethoxy)-2-methyl-1-nitrobenzene is 31066-19-0.
What is the molecular formula of 4-(2-Bromoethoxy)-2-methyl-1-nitrobenzene?
The molecular formula of 4-(2-Bromoethoxy)-2-methyl-1-nitrobenzene is C9H10BrNO3.
What is the molecular weight of 4-(2-Bromoethoxy)-2-methyl-1-nitrobenzene?
The molecular weight of 4-(2-Bromoethoxy)-2-methyl-1-nitrobenzene is 258.98 g/mol.
Where can I buy 4-(2-Bromoethoxy)-2-methyl-1-nitrobenzene?
You can request a quote for 4-(2-Bromoethoxy)-2-methyl-1-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Bromoethoxy)-2-methyl-1-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Bromoethoxy)-2-methyl-1-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.