(4-Bromo-4-nitrobuta-1,3-dienyl)benzene
TL;DR: (4-Bromo-4-nitrobuta-1,3-dienyl)benzene (CAS 26331-60-2) is a chemical compound with molecular formula C10H8BrNO2 and molecular weight 252.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-bromo-4-nitrobuta-1,3-dienyl)benzene
Also Known As: (4-bromo-4-nitrobuta-1,3-dienyl)benzene, [(1E,3E)-4-bromo-4-nitrobuta-1,3-dienyl]benzene
| Molecular Formula | C10H8BrNO2 |
|---|---|
| Molecular Weight | 252.97 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.97385 |
| Heavy Atoms | 14 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 26331-60-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=CC=C([N+](=O)[O-])Br |
| InChIKey | YAXZUULJYDZGSB-UHFFFAOYSA-N |
Product Overview
(4-Bromo-4-nitrobuta-1,3-dienyl)benzene (CAS 26331-60-2), with molecular formula C10H8BrNO2 and molecular weight 252.97 g/mol. IUPAC: (4-bromo-4-nitrobuta-1,3-dienyl)benzene.
Chemical Property Profile of (4-Bromo-4-nitrobuta-1,3-dienyl)benzene
Property Insights of (4-Bromo-4-nitrobuta-1,3-dienyl)benzene
The XLogP value of 3.7 indicates that (4-Bromo-4-nitrobuta-1,3-dienyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, (4-Bromo-4-nitrobuta-1,3-dienyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Bromo-4-nitrobuta-1,3-dienyl)benzene 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 (4-Bromo-4-nitrobuta-1,3-dienyl)benzene?
The CAS number of (4-Bromo-4-nitrobuta-1,3-dienyl)benzene is 26331-60-2.
What is the molecular formula of (4-Bromo-4-nitrobuta-1,3-dienyl)benzene?
The molecular formula of (4-Bromo-4-nitrobuta-1,3-dienyl)benzene is C10H8BrNO2.
What is the molecular weight of (4-Bromo-4-nitrobuta-1,3-dienyl)benzene?
The molecular weight of (4-Bromo-4-nitrobuta-1,3-dienyl)benzene is 252.97 g/mol.
Where can I buy (4-Bromo-4-nitrobuta-1,3-dienyl)benzene?
You can request a quote for (4-Bromo-4-nitrobuta-1,3-dienyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Bromo-4-nitrobuta-1,3-dienyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for (4-Bromo-4-nitrobuta-1,3-dienyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.