(Bromoethynyl)benzene
TL;DR: (Bromoethynyl)benzene (CAS 766-81-4) is a chemical compound with molecular formula C1=CC=C(C=C1)C#CBr and molecular weight 179.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromoethynylbenzene
Also Known As: (Bromoethynyl)benzene, Phenylbromoethyne, 2-bromoethynylbenzene, Benzene, (bromoethynyl)-, Bromophenylacetylene
| Molecular Formula | C1=CC=C(C=C1)C#CBr |
|---|---|
| Molecular Weight | 179.96 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 179.95746 |
| Heavy Atoms | 9 |
| Complexity | 131.0 |
Chemical Identifiers
| CAS Number | 766-81-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C#CBr |
| InChIKey | BPVHWNVBBDHIQU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(Bromoethynyl)benzene (CAS 766-81-4), with molecular formula C1=CC=C(C=C1)C#CBr and molecular weight 179.96 g/mol. IUPAC: 2-bromoethynylbenzene.
Chemical Property Profile of (Bromoethynyl)benzene
Property Insights of (Bromoethynyl)benzene
The XLogP value of 3.6 indicates that (Bromoethynyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, (Bromoethynyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Bromoethynyl)benzene 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 (Bromoethynyl)benzene?
The CAS number of (Bromoethynyl)benzene is 766-81-4.
What is the molecular formula of (Bromoethynyl)benzene?
The molecular formula of (Bromoethynyl)benzene is C1=CC=C(C=C1)C#CBr.
What is the molecular weight of (Bromoethynyl)benzene?
The molecular weight of (Bromoethynyl)benzene is 179.96 g/mol.
Where can I buy (Bromoethynyl)benzene?
You can request a quote for (Bromoethynyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Bromoethynyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for (Bromoethynyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.