1-(Allyloxy)-2-bromo-4-chlorobenzene
TL;DR: 1-(Allyloxy)-2-bromo-4-chlorobenzene (CAS 68223-98-3) is a chemical compound with molecular formula C9H8BrClO and molecular weight 245.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-4-chloro-1-prop-2-enoxybenzene
Also Known As: 1-(allyloxy)-2-bromo-4-chlorobenzene, starbld0031244, 1-Bromo-2-allyloxy-5-chlorobenzene, 2-bromo-4-chloro-1-prop-2-enoxybenzene, 1-Allyloxy-2-bromo-4-chlorobenzene
| Molecular Formula | C9H8BrClO |
|---|---|
| Molecular Weight | 245.94 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 245.94472 |
| Heavy Atoms | 12 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 68223-98-3 |
|---|---|
| SMILES | C=CCOC1=C(C=C(C=C1)Cl)Br |
| InChIKey | OCVCVNIEKFRUBK-UHFFFAOYSA-N |
Product Overview
1-(Allyloxy)-2-bromo-4-chlorobenzene (CAS 68223-98-3), with molecular formula C9H8BrClO and molecular weight 245.94 g/mol. IUPAC: 2-bromo-4-chloro-1-prop-2-enoxybenzene.
Chemical Property Profile of 1-(Allyloxy)-2-bromo-4-chlorobenzene
Property Insights of 1-(Allyloxy)-2-bromo-4-chlorobenzene
The XLogP value of 3.9 indicates that 1-(Allyloxy)-2-bromo-4-chlorobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 1-(Allyloxy)-2-bromo-4-chlorobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Allyloxy)-2-bromo-4-chlorobenzene 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 1-(Allyloxy)-2-bromo-4-chlorobenzene?
The CAS number of 1-(Allyloxy)-2-bromo-4-chlorobenzene is 68223-98-3.
What is the molecular formula of 1-(Allyloxy)-2-bromo-4-chlorobenzene?
The molecular formula of 1-(Allyloxy)-2-bromo-4-chlorobenzene is C9H8BrClO.
What is the molecular weight of 1-(Allyloxy)-2-bromo-4-chlorobenzene?
The molecular weight of 1-(Allyloxy)-2-bromo-4-chlorobenzene is 245.94 g/mol.
Where can I buy 1-(Allyloxy)-2-bromo-4-chlorobenzene?
You can request a quote for 1-(Allyloxy)-2-bromo-4-chlorobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Allyloxy)-2-bromo-4-chlorobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(Allyloxy)-2-bromo-4-chlorobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.