trans-2-Bromo-beta-nitrostyrene
TL;DR: trans-2-Bromo-beta-nitrostyrene (CAS 38815-55-3) is a chemical compound with molecular formula C8H6BrNO2 and molecular weight 226.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-2-[(E)-2-nitroethenyl]benzene
Also Known As: Bromonitrostyrene, trans-2-Bromo-beta-nitrostyrene, (E)-1-bromo-2-(2-nitrovinyl)benzene, 1-bromo-2-[(E)-2-nitroethenyl]benzene, starbld0017158
| Molecular Formula | C8H6BrNO2 |
|---|---|
| Molecular Weight | 226.96 g/mol |
| LogP | 2.6965 |
| Topological Polar Surface Area | 43.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.95819 |
| Heavy Atoms | 12 |
| Complexity | 322.58884 |
Chemical Identifiers
| CAS Number | 38815-55-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)/C=C/[N+](=O)[O-])Br |
Product Overview
trans-2-Bromo-beta-nitrostyrene (CAS 38815-55-3), with molecular formula C8H6BrNO2 and molecular weight 226.96 g/mol. IUPAC: 1-bromo-2-[(E)-2-nitroethenyl]benzene.
Chemical Property Profile of trans-2-Bromo-beta-nitrostyrene
Property Insights of trans-2-Bromo-beta-nitrostyrene
The XLogP value of 2.6965 suggests moderate lipophilicity, balancing water solubility and membrane permeability for trans-2-Bromo-beta-nitrostyrene. With a topological polar surface area (TPSA) of 43.14 Ų, trans-2-Bromo-beta-nitrostyrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, trans-2-Bromo-beta-nitrostyrene has 0 hydrogen bond donor(s) and 2 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 trans-2-Bromo-beta-nitrostyrene?
The CAS number of trans-2-Bromo-beta-nitrostyrene is 38815-55-3.
What is the molecular formula of trans-2-Bromo-beta-nitrostyrene?
The molecular formula of trans-2-Bromo-beta-nitrostyrene is C8H6BrNO2.
What is the molecular weight of trans-2-Bromo-beta-nitrostyrene?
The molecular weight of trans-2-Bromo-beta-nitrostyrene is 226.96 g/mol.
Where can I buy trans-2-Bromo-beta-nitrostyrene?
You can request a quote for trans-2-Bromo-beta-nitrostyrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trans-2-Bromo-beta-nitrostyrene?
Yes, KEHONG BIO provides custom synthesis services for trans-2-Bromo-beta-nitrostyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.