(4-Nitro-4-phenylbuta-1,3-dienyl)benzene
TL;DR: (4-Nitro-4-phenylbuta-1,3-dienyl)benzene (CAS 1152-00-7) 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.
(4-nitro-4-phenylbuta-1,3-dienyl)benzene
Also Known As: (4-nitro-4-phenylbuta-1,3-dienyl)benzene, [(1E,3E)-4-nitro-4-phenylbuta-1,3-dienyl]benzene
| Molecular Formula | C16H13NO2 |
|---|---|
| Molecular Weight | 251.09 g/mol |
| LogP | 4.5 |
| 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 | 342.0 |
Chemical Identifiers
| CAS Number | 1152-00-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=CC=C(C2=CC=CC=C2)[N+](=O)[O-] |
| InChIKey | YTKOEZZUXZYTFF-UHFFFAOYSA-N |
Product Overview
(4-Nitro-4-phenylbuta-1,3-dienyl)benzene (CAS 1152-00-7), with molecular formula C16H13NO2 and molecular weight 251.09 g/mol. IUPAC: (4-nitro-4-phenylbuta-1,3-dienyl)benzene.
Chemical Property Profile of (4-Nitro-4-phenylbuta-1,3-dienyl)benzene
Property Insights of (4-Nitro-4-phenylbuta-1,3-dienyl)benzene
The XLogP value of 4.5 indicates that (4-Nitro-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, (4-Nitro-4-phenylbuta-1,3-dienyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Nitro-4-phenylbuta-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-Nitro-4-phenylbuta-1,3-dienyl)benzene?
The CAS number of (4-Nitro-4-phenylbuta-1,3-dienyl)benzene is 1152-00-7.
What is the molecular formula of (4-Nitro-4-phenylbuta-1,3-dienyl)benzene?
The molecular formula of (4-Nitro-4-phenylbuta-1,3-dienyl)benzene is C16H13NO2.
What is the molecular weight of (4-Nitro-4-phenylbuta-1,3-dienyl)benzene?
The molecular weight of (4-Nitro-4-phenylbuta-1,3-dienyl)benzene is 251.09 g/mol.
Where can I buy (4-Nitro-4-phenylbuta-1,3-dienyl)benzene?
You can request a quote for (4-Nitro-4-phenylbuta-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-Nitro-4-phenylbuta-1,3-dienyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for (4-Nitro-4-phenylbuta-1,3-dienyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.