2-(Bromomethyl)-1-methoxy-4-nitrobenzene
TL;DR: 2-(Bromomethyl)-1-methoxy-4-nitrobenzene (CAS 3913-23-3) is a chemical compound with molecular formula C8H8BrNO3 and molecular weight 244.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(bromomethyl)-1-methoxy-4-nitrobenzene
Also Known As: 2-(Bromomethyl)-1-methoxy-4-nitrobenzene, 2-Methoxy-5-nitrobenzyl bromide, 2-Bromomethyl-4-nitroanisole, Koshland's reagent II, Koshland Reagent II
| Molecular Formula | C8H8BrNO3 |
|---|---|
| Molecular Weight | 244.97 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 244.96877 |
| Heavy Atoms | 13 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 3913-23-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)[N+](=O)[O-])CBr |
| InChIKey | JRHMPHMGOGMNDU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Bromomethyl)-1-methoxy-4-nitrobenzene (CAS 3913-23-3), with molecular formula C8H8BrNO3 and molecular weight 244.97 g/mol. IUPAC: 2-(bromomethyl)-1-methoxy-4-nitrobenzene.
Chemical Property Profile of 2-(Bromomethyl)-1-methoxy-4-nitrobenzene
Property Insights of 2-(Bromomethyl)-1-methoxy-4-nitrobenzene
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Bromomethyl)-1-methoxy-4-nitrobenzene. With a topological polar surface area (TPSA) of 55.1 Ų, 2-(Bromomethyl)-1-methoxy-4-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Bromomethyl)-1-methoxy-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-(Bromomethyl)-1-methoxy-4-nitrobenzene?
The CAS number of 2-(Bromomethyl)-1-methoxy-4-nitrobenzene is 3913-23-3.
What is the molecular formula of 2-(Bromomethyl)-1-methoxy-4-nitrobenzene?
The molecular formula of 2-(Bromomethyl)-1-methoxy-4-nitrobenzene is C8H8BrNO3.
What is the molecular weight of 2-(Bromomethyl)-1-methoxy-4-nitrobenzene?
The molecular weight of 2-(Bromomethyl)-1-methoxy-4-nitrobenzene is 244.97 g/mol.
Where can I buy 2-(Bromomethyl)-1-methoxy-4-nitrobenzene?
You can request a quote for 2-(Bromomethyl)-1-methoxy-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-(Bromomethyl)-1-methoxy-4-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 2-(Bromomethyl)-1-methoxy-4-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.