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Benzene, 1-[(1E)-2-nitro-1-propenyl]-4-(phenylmethoxy)-
TL;DR: Benzene, 1-[(1E)-2-nitro-1-propenyl]-4-(phenylmethoxy)- (CAS 7176-38-7) 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-(2-nitroprop-1-enyl)-4-phenylmethoxybenzene
Also Known As: 1-(4-Benzyloxyphenyl)-2-nitropropene, Benzene, 1-[(1E)-2-nitro-1-propenyl]-4-(phenylmethoxy)-, 1-(2-nitroprop-1-enyl)-4-phenylmethoxybenzene, (E)-1-(benzyloxy)-4-(2-nitroprop-1-enyl)benzene, 1-(BENZYLOXY)-4-(2-NITROPROP-1-EN-1-YL)BENZENE
| Molecular Formula | C16H15NO3 |
|---|---|
| Molecular Weight | 269.11 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 269.1052 |
| Heavy Atoms | 20 |
| Complexity | 334.0 |
Chemical Identifiers
| CAS Number | 7176-38-7 |
|---|---|
| SMILES | CC(=CC1=CC=C(C=C1)OCC2=CC=CC=C2)[N+](=O)[O-] |
| InChIKey | ZGYOAKJRIOGEBC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1-[(1E)-2-nitro-1-propenyl]-4-(phenylmethoxy)- (CAS 7176-38-7), with molecular formula C16H15NO3 and molecular weight 269.11 g/mol. IUPAC: 1-(2-nitroprop-1-enyl)-4-phenylmethoxybenzene.
Chemical Property Profile of Benzene, 1-[(1E)-2-nitro-1-propenyl]-4-(phenylmethoxy)-
Property Insights of Benzene, 1-[(1E)-2-nitro-1-propenyl]-4-(phenylmethoxy)-
The XLogP value of 4.0 indicates that Benzene, 1-[(1E)-2-nitro-1-propenyl]-4-(phenylmethoxy)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.1 Ų, Benzene, 1-[(1E)-2-nitro-1-propenyl]-4-(phenylmethoxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-[(1E)-2-nitro-1-propenyl]-4-(phenylmethoxy)- 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 Benzene, 1-[(1E)-2-nitro-1-propenyl]-4-(phenylmethoxy)-?
The CAS number of Benzene, 1-[(1E)-2-nitro-1-propenyl]-4-(phenylmethoxy)- is 7176-38-7.
What is the molecular formula of Benzene, 1-[(1E)-2-nitro-1-propenyl]-4-(phenylmethoxy)-?
The molecular formula of Benzene, 1-[(1E)-2-nitro-1-propenyl]-4-(phenylmethoxy)- is C16H15NO3.
What is the molecular weight of Benzene, 1-[(1E)-2-nitro-1-propenyl]-4-(phenylmethoxy)-?
The molecular weight of Benzene, 1-[(1E)-2-nitro-1-propenyl]-4-(phenylmethoxy)- is 269.11 g/mol.
Where can I buy Benzene, 1-[(1E)-2-nitro-1-propenyl]-4-(phenylmethoxy)-?
You can request a quote for Benzene, 1-[(1E)-2-nitro-1-propenyl]-4-(phenylmethoxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-[(1E)-2-nitro-1-propenyl]-4-(phenylmethoxy)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-[(1E)-2-nitro-1-propenyl]-4-(phenylmethoxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.