1-(4-Benzyloxyphenyl)-2-nitropropene
TL;DR: 1-(4-Benzyloxyphenyl)-2-nitropropene (CAS 100780-36-7) is a chemical compound with molecular formula C16H15NO3 and molecular weight 269.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(E)-2-nitroprop-1-enyl]-4-phenylmethoxybenzene
Also Known As: 1-(4-Benzyloxyphenyl)-2-nitropropene, 4-Benzyloxy.beta.-methyl-.beta.-nitrostyrene, 1-[(E)-2-nitroprop-1-enyl]-4-phenylmethoxybenzene, Benzene, 1-[(1E)-2-nitro-1-propen-1-yl]-4-(phenylmethoxy)-
| Molecular Formula | C16H15NO3 |
|---|---|
| Molecular Weight | 269.11 g/mol |
| LogP | 3.9031 |
| Topological Polar Surface Area | 52.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 269.1052 |
| Heavy Atoms | 20 |
| Complexity | 603.3789 |
Chemical Identifiers
| CAS Number | 100780-36-7 |
|---|---|
| SMILES | C/C(=C\C1=CC=C(C=C1)OCC2=CC=CC=C2)/[N+](=O)[O-] |
Product Overview
1-(4-Benzyloxyphenyl)-2-nitropropene (CAS 100780-36-7), with molecular formula C16H15NO3 and molecular weight 269.11 g/mol. IUPAC: 1-[(E)-2-nitroprop-1-enyl]-4-phenylmethoxybenzene.
Chemical Property Profile of 1-(4-Benzyloxyphenyl)-2-nitropropene
Property Insights of 1-(4-Benzyloxyphenyl)-2-nitropropene
The XLogP value of 3.9031 indicates that 1-(4-Benzyloxyphenyl)-2-nitropropene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.37 Ų, 1-(4-Benzyloxyphenyl)-2-nitropropene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Benzyloxyphenyl)-2-nitropropene has 0 hydrogen bond donor(s) and 3 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-(4-Benzyloxyphenyl)-2-nitropropene?
The CAS number of 1-(4-Benzyloxyphenyl)-2-nitropropene is 100780-36-7.
What is the molecular formula of 1-(4-Benzyloxyphenyl)-2-nitropropene?
The molecular formula of 1-(4-Benzyloxyphenyl)-2-nitropropene is C16H15NO3.
What is the molecular weight of 1-(4-Benzyloxyphenyl)-2-nitropropene?
The molecular weight of 1-(4-Benzyloxyphenyl)-2-nitropropene is 269.11 g/mol.
Where can I buy 1-(4-Benzyloxyphenyl)-2-nitropropene?
You can request a quote for 1-(4-Benzyloxyphenyl)-2-nitropropene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Benzyloxyphenyl)-2-nitropropene?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Benzyloxyphenyl)-2-nitropropene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.