Benzene,1-nitro-3-(4-phenyl-1,3-butadien-1-YL)-
TL;DR: Benzene,1-nitro-3-(4-phenyl-1,3-butadien-1-YL)- (CAS 15866-63-4) is a chemical compound with molecular formula C16H13NO2 and molecular weight 251.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitro-3-(4-phenylbuta-1,3-dienyl)benzene
Also Known As: NCIOpen2_007138, 1-nitro-3-(4-phenylbuta-1,3-dienyl)benzene, 1-nitro-3-(4-phenylbuta-1,3-dien-1-yl)benzene, 1-nitro-3-[(1Z,3E)-4-phenylbuta-1,3-dienyl]benzene, BENZENE,1-NITRO-3-(4-PHENYL-1,3-BUTADIEN-1-YL)-
| Molecular Formula | C16H13NO2 |
|---|---|
| Molecular Weight | 251.09 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.09464 |
| Heavy Atoms | 19 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 15866-63-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=CC=CC2=CC(=CC=C2)[N+](=O)[O-] |
| InChIKey | BGLYLUXCFVPGNA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene,1-nitro-3-(4-phenyl-1,3-butadien-1-YL)- (CAS 15866-63-4), with molecular formula C16H13NO2 and molecular weight 251.09 g/mol. IUPAC: 1-nitro-3-(4-phenylbuta-1,3-dienyl)benzene.
Chemical Property Profile of Benzene,1-nitro-3-(4-phenyl-1,3-butadien-1-YL)-
Property Insights of Benzene,1-nitro-3-(4-phenyl-1,3-butadien-1-YL)-
The XLogP value of 5.2 indicates that Benzene,1-nitro-3-(4-phenyl-1,3-butadien-1-YL)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, Benzene,1-nitro-3-(4-phenyl-1,3-butadien-1-YL)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene,1-nitro-3-(4-phenyl-1,3-butadien-1-YL)- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzene,1-nitro-3-(4-phenyl-1,3-butadien-1-YL)-?
The CAS number of Benzene,1-nitro-3-(4-phenyl-1,3-butadien-1-YL)- is 15866-63-4.
What is the molecular formula of Benzene,1-nitro-3-(4-phenyl-1,3-butadien-1-YL)-?
The molecular formula of Benzene,1-nitro-3-(4-phenyl-1,3-butadien-1-YL)- is C16H13NO2.
What is the molecular weight of Benzene,1-nitro-3-(4-phenyl-1,3-butadien-1-YL)-?
The molecular weight of Benzene,1-nitro-3-(4-phenyl-1,3-butadien-1-YL)- is 251.09 g/mol.
Where can I buy Benzene,1-nitro-3-(4-phenyl-1,3-butadien-1-YL)-?
You can request a quote for Benzene,1-nitro-3-(4-phenyl-1,3-butadien-1-YL)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene,1-nitro-3-(4-phenyl-1,3-butadien-1-YL)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene,1-nitro-3-(4-phenyl-1,3-butadien-1-YL)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.