3-Bromostyrene
TL;DR: 3-Bromostyrene (CAS 2039-86-3) is a chemical compound with molecular formula C8H7Br and molecular weight 181.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-3-ethenylbenzene
Also Known As: 3-Bromostyrene, 1-Bromo-3-vinylbenzene, m-Bromostyrene, 1-bromo-3-ethenylbenzene, Benzene, 1-bromo-3-ethenyl-
| Molecular Formula | C8H7Br |
|---|---|
| Molecular Weight | 181.97 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 181.97311 |
| Heavy Atoms | 9 |
| Complexity | 98.0 |
Chemical Identifiers
| CAS Number | 2039-86-3 |
|---|---|
| SMILES | C=CC1=CC(=CC=C1)Br |
| InChIKey | KQJQPCJDKBKSLV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Bromostyrene (CAS 2039-86-3), with molecular formula C8H7Br and molecular weight 181.97 g/mol. IUPAC: 1-bromo-3-ethenylbenzene.
Chemical Property Profile of 3-Bromostyrene
Property Insights of 3-Bromostyrene
The XLogP value of 3.4 indicates that 3-Bromostyrene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 3-Bromostyrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromostyrene 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 3-Bromostyrene?
The CAS number of 3-Bromostyrene is 2039-86-3.
What is the molecular formula of 3-Bromostyrene?
The molecular formula of 3-Bromostyrene is C8H7Br.
What is the molecular weight of 3-Bromostyrene?
The molecular weight of 3-Bromostyrene is 181.97 g/mol.
Where can I buy 3-Bromostyrene?
You can request a quote for 3-Bromostyrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromostyrene?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromostyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.