1-(Bromomethyl)-4-methoxy-2-nitrobenzene
TL;DR: 1-(Bromomethyl)-4-methoxy-2-nitrobenzene (CAS 57559-52-1) 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.
1-(bromomethyl)-4-methoxy-2-nitrobenzene
Also Known As: 1-(bromomethyl)-4-methoxy-2-nitrobenzene, 4-METHOXY-2-NITROBENZYL BROMIDE, 4-Methoxy-2-nitrobenzylbromide, 1-Bromomethyl-4-methoxy-2-nitro-benzene, 2-Nitro-4-methoxy-benzylbromid
| Molecular Formula | C8H8BrNO3 |
|---|---|
| Molecular Weight | 244.97 g/mol |
| LogP | 2.4983 |
| Topological Polar Surface Area | 52.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 244.96877 |
| Heavy Atoms | 13 |
| Complexity | 327.16522 |
Chemical Identifiers
| CAS Number | 57559-52-1 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)CBr)[N+](=O)[O-] |
Product Overview
1-(Bromomethyl)-4-methoxy-2-nitrobenzene (CAS 57559-52-1), with molecular formula C8H8BrNO3 and molecular weight 244.97 g/mol. IUPAC: 1-(bromomethyl)-4-methoxy-2-nitrobenzene.
Chemical Property Profile of 1-(Bromomethyl)-4-methoxy-2-nitrobenzene
Property Insights of 1-(Bromomethyl)-4-methoxy-2-nitrobenzene
The XLogP value of 2.4983 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Bromomethyl)-4-methoxy-2-nitrobenzene. With a topological polar surface area (TPSA) of 52.37 Ų, 1-(Bromomethyl)-4-methoxy-2-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Bromomethyl)-4-methoxy-2-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 1-(Bromomethyl)-4-methoxy-2-nitrobenzene?
The CAS number of 1-(Bromomethyl)-4-methoxy-2-nitrobenzene is 57559-52-1.
What is the molecular formula of 1-(Bromomethyl)-4-methoxy-2-nitrobenzene?
The molecular formula of 1-(Bromomethyl)-4-methoxy-2-nitrobenzene is C8H8BrNO3.
What is the molecular weight of 1-(Bromomethyl)-4-methoxy-2-nitrobenzene?
The molecular weight of 1-(Bromomethyl)-4-methoxy-2-nitrobenzene is 244.97 g/mol.
Where can I buy 1-(Bromomethyl)-4-methoxy-2-nitrobenzene?
You can request a quote for 1-(Bromomethyl)-4-methoxy-2-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Bromomethyl)-4-methoxy-2-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(Bromomethyl)-4-methoxy-2-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.