1-Nitro-4-phenylbutadiene
TL;DR: 1-Nitro-4-phenylbutadiene (CAS 28925-75-9) is a chemical compound with molecular formula C10H9NO2 and molecular weight 175.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1E,3E)-4-nitrobuta-1,3-dienyl]benzene
Also Known As: 1-Nitro-4-phenylbutadiene, 1-Nitro-4-phenyl-1,3-butadiene, (4-Nitro-1,3-butadienyl)benzene, 1-nitro-4-phenylbuta-1,3-diene, 1-Phenyl-4-nitro-1,3-butadiene
| Molecular Formula | C10H9NO2 |
|---|---|
| Molecular Weight | 175.06 g/mol |
| LogP | 2.4902 |
| Topological Polar Surface Area | 43.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 175.06332 |
| Heavy Atoms | 13 |
| Complexity | 328.0378 |
Chemical Identifiers
| CAS Number | 28925-75-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C/C=C/[N+](=O)[O-] |
Product Overview
1-Nitro-4-phenylbutadiene (CAS 28925-75-9), with molecular formula C10H9NO2 and molecular weight 175.06 g/mol. IUPAC: [(1E,3E)-4-nitrobuta-1,3-dienyl]benzene.
Chemical Property Profile of 1-Nitro-4-phenylbutadiene
Property Insights of 1-Nitro-4-phenylbutadiene
The XLogP value of 2.4902 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Nitro-4-phenylbutadiene. With a topological polar surface area (TPSA) of 43.14 Ų, 1-Nitro-4-phenylbutadiene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Nitro-4-phenylbutadiene 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 1-Nitro-4-phenylbutadiene?
The CAS number of 1-Nitro-4-phenylbutadiene is 28925-75-9.
What is the molecular formula of 1-Nitro-4-phenylbutadiene?
The molecular formula of 1-Nitro-4-phenylbutadiene is C10H9NO2.
What is the molecular weight of 1-Nitro-4-phenylbutadiene?
The molecular weight of 1-Nitro-4-phenylbutadiene is 175.06 g/mol.
Where can I buy 1-Nitro-4-phenylbutadiene?
You can request a quote for 1-Nitro-4-phenylbutadiene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Nitro-4-phenylbutadiene?
Yes, KEHONG BIO provides custom synthesis services for 1-Nitro-4-phenylbutadiene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.