3-Chloro-5-fluoro-4-methoxybenzyl bromide
TL;DR: 3-Chloro-5-fluoro-4-methoxybenzyl bromide (CAS 886497-36-5) is a chemical compound with molecular formula C8H7BrClFO and molecular weight 251.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(bromomethyl)-1-chloro-3-fluoro-2-methoxybenzene
Also Known As: 3-Chloro-5-fluoro-4-methoxybenzyl bromide, 5-(bromomethyl)-1-chloro-3-fluoro-2-methoxybenzene, 3-Chloro-5-fluoro-4-methoxybenzylbromide, 5-(bromomethyl)-1-chloro-3-fluoro-2-methoxy-benzene, 5-(bromomethyl)-3-chloro-1-fluoro-2-methoxybenzene
| Molecular Formula | C8H7BrClFO |
|---|---|
| Molecular Weight | 251.94 g/mol |
| LogP | 3.3826 |
| Topological Polar Surface Area | 9.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 251.93529 |
| Heavy Atoms | 12 |
| Complexity | 267.3815 |
Chemical Identifiers
| CAS Number | 886497-36-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1Cl)CBr)F |
Product Overview
3-Chloro-5-fluoro-4-methoxybenzyl bromide (CAS 886497-36-5), with molecular formula C8H7BrClFO and molecular weight 251.94 g/mol. IUPAC: 5-(bromomethyl)-1-chloro-3-fluoro-2-methoxybenzene.
Chemical Property Profile of 3-Chloro-5-fluoro-4-methoxybenzyl bromide
Property Insights of 3-Chloro-5-fluoro-4-methoxybenzyl bromide
The XLogP value of 3.3826 indicates that 3-Chloro-5-fluoro-4-methoxybenzyl bromide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.23 Ų, 3-Chloro-5-fluoro-4-methoxybenzyl bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-5-fluoro-4-methoxybenzyl bromide has 0 hydrogen bond donor(s) and 1 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 3-Chloro-5-fluoro-4-methoxybenzyl bromide?
The CAS number of 3-Chloro-5-fluoro-4-methoxybenzyl bromide is 886497-36-5.
What is the molecular formula of 3-Chloro-5-fluoro-4-methoxybenzyl bromide?
The molecular formula of 3-Chloro-5-fluoro-4-methoxybenzyl bromide is C8H7BrClFO.
What is the molecular weight of 3-Chloro-5-fluoro-4-methoxybenzyl bromide?
The molecular weight of 3-Chloro-5-fluoro-4-methoxybenzyl bromide is 251.94 g/mol.
Where can I buy 3-Chloro-5-fluoro-4-methoxybenzyl bromide?
You can request a quote for 3-Chloro-5-fluoro-4-methoxybenzyl bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-5-fluoro-4-methoxybenzyl bromide?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-5-fluoro-4-methoxybenzyl bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.