1-(Bromoethynyl)-4-chlorobenzene
TL;DR: 1-(Bromoethynyl)-4-chlorobenzene (CAS 33491-03-1) is a chemical compound with molecular formula C8H4BrCl and molecular weight 213.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-bromoethynyl)-4-chlorobenzene
Also Known As: 1-(bromoethynyl)-4-chlorobenzene, benzene, 1-(bromoethynyl)-4-chloro-, 4-chlorophenylbromoacetylene, 1-(2-bromoethynyl)-4-chlorobenzene, 1-Bromo-2-(4-chlorophenyl)acetylene
| Molecular Formula | C8H4BrCl |
|---|---|
| Molecular Weight | 213.92 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 213.91849 |
| Heavy Atoms | 10 |
| Complexity | 157.0 |
Chemical Identifiers
| CAS Number | 33491-03-1 |
|---|---|
| SMILES | C1=CC(=CC=C1C#CBr)Cl |
| InChIKey | MWLDFOCAVDOKBW-UHFFFAOYSA-N |
Product Overview
1-(Bromoethynyl)-4-chlorobenzene (CAS 33491-03-1), with molecular formula C8H4BrCl and molecular weight 213.92 g/mol. IUPAC: 1-(2-bromoethynyl)-4-chlorobenzene.
Chemical Property Profile of 1-(Bromoethynyl)-4-chlorobenzene
Property Insights of 1-(Bromoethynyl)-4-chlorobenzene
The XLogP value of 3.8 indicates that 1-(Bromoethynyl)-4-chlorobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-(Bromoethynyl)-4-chlorobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Bromoethynyl)-4-chlorobenzene has 0 hydrogen bond donor(s) and 0 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-(Bromoethynyl)-4-chlorobenzene?
The CAS number of 1-(Bromoethynyl)-4-chlorobenzene is 33491-03-1.
What is the molecular formula of 1-(Bromoethynyl)-4-chlorobenzene?
The molecular formula of 1-(Bromoethynyl)-4-chlorobenzene is C8H4BrCl.
What is the molecular weight of 1-(Bromoethynyl)-4-chlorobenzene?
The molecular weight of 1-(Bromoethynyl)-4-chlorobenzene is 213.92 g/mol.
Where can I buy 1-(Bromoethynyl)-4-chlorobenzene?
You can request a quote for 1-(Bromoethynyl)-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-(Bromoethynyl)-4-chlorobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(Bromoethynyl)-4-chlorobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.