1-nitro-4-(4-phenylbuta-1,3-dienyl)benzene
TL;DR: 1-nitro-4-(4-phenylbuta-1,3-dienyl)benzene (CAS 15866-67-8) is a chemical compound with molecular formula C16H13NO2 and molecular weight 251.09464 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-nitro-4-(4-phenylbuta-1,3-dienyl)benzene
Also Known As: 1-nitro-4-(4-phenylbuta-1,3-dienyl)benzene, Benzene,1-nitro-4-(4-phenyl-1,3-butadien-1-yl)-
Technical Specifications
| Molecular Formula | C16H13NO2 |
| Molecular Weight | 251.09464 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.09464 Da |
| Heavy Atoms | 19 |
| Complexity | 329.0 |
| SMILES | C1=CC=C(C=C1)C=CC=CC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | WDTUTMRHOVLEAN-UHFFFAOYSA-N |
Chemical Property Profile of 1-nitro-4-(4-phenylbuta-1,3-dienyl)benzene
Property Insights of 1-nitro-4-(4-phenylbuta-1,3-dienyl)benzene
The XLogP value of 5.1 indicates that 1-nitro-4-(4-phenylbuta-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, 1-nitro-4-(4-phenylbuta-1,3-dienyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-nitro-4-(4-phenylbuta-1,3-dienyl)benzene has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1-nitro-4-(4-phenylbuta-1,3-dienyl)benzene?
The CAS number of 1-nitro-4-(4-phenylbuta-1,3-dienyl)benzene is 15866-67-8.
What is the molecular formula of 1-nitro-4-(4-phenylbuta-1,3-dienyl)benzene?
The molecular formula of 1-nitro-4-(4-phenylbuta-1,3-dienyl)benzene is C16H13NO2.
What is the molecular weight of 1-nitro-4-(4-phenylbuta-1,3-dienyl)benzene?
The molecular weight of 1-nitro-4-(4-phenylbuta-1,3-dienyl)benzene is 251.09464 g/mol.
Where can I buy 1-nitro-4-(4-phenylbuta-1,3-dienyl)benzene?
You can request a quote for 1-nitro-4-(4-phenylbuta-1,3-dienyl)benzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-nitro-4-(4-phenylbuta-1,3-dienyl)benzene?
Yes, CoreyChem provides custom synthesis services for 1-nitro-4-(4-phenylbuta-1,3-dienyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.