![[4-(3-Methoxy-3-oxoprop-1-enyl)phenyl] 3-nitrobenzoate structure](/static/products/3314/331461-77-9.webp)
[4-(3-Methoxy-3-oxoprop-1-enyl)phenyl] 3-nitrobenzoate
TL;DR: [4-(3-Methoxy-3-oxoprop-1-enyl)phenyl] 3-nitrobenzoate (CAS 331461-77-9) is a chemical compound with molecular formula C17H13NO6 and molecular weight 327.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(3-methoxy-3-oxoprop-1-enyl)phenyl] 3-nitrobenzoate
Also Known As: [4-(3-methoxy-3-oxoprop-1-enyl)phenyl] 3-nitrobenzoate, 4-(3-methoxy-3-oxo-1-propenyl)phenyl 3-nitrobenzenecarboxylate
| Molecular Formula | C17H13NO6 |
|---|---|
| Molecular Weight | 327.07 g/mol |
| LogP | 3.0002 |
| Topological Polar Surface Area | 95.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 327.07428 |
| Heavy Atoms | 24 |
| Complexity | 794.983 |
Chemical Identifiers
| CAS Number | 331461-77-9 |
|---|---|
| SMILES | COC(=O)C=CC1=CC=C(C=C1)OC(=O)C2=CC(=CC=C2)[N+](=O)[O-] |
Product Overview
[4-(3-Methoxy-3-oxoprop-1-enyl)phenyl] 3-nitrobenzoate (CAS 331461-77-9), with molecular formula C17H13NO6 and molecular weight 327.07 g/mol. IUPAC: [4-(3-methoxy-3-oxoprop-1-enyl)phenyl] 3-nitrobenzoate.
Chemical Property Profile of [4-(3-Methoxy-3-oxoprop-1-enyl)phenyl] 3-nitrobenzoate
Property Insights of [4-(3-Methoxy-3-oxoprop-1-enyl)phenyl] 3-nitrobenzoate
The XLogP value of 3.0002 indicates that [4-(3-Methoxy-3-oxoprop-1-enyl)phenyl] 3-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.74 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-(3-Methoxy-3-oxoprop-1-enyl)phenyl] 3-nitrobenzoate. Following Lipinski's Rule of Five, [4-(3-Methoxy-3-oxoprop-1-enyl)phenyl] 3-nitrobenzoate has 0 hydrogen bond donor(s) and 6 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-(3-Methoxy-3-oxoprop-1-enyl)phenyl] 3-nitrobenzoate?
The CAS number of [4-(3-Methoxy-3-oxoprop-1-enyl)phenyl] 3-nitrobenzoate is 331461-77-9.
What is the molecular formula of [4-(3-Methoxy-3-oxoprop-1-enyl)phenyl] 3-nitrobenzoate?
The molecular formula of [4-(3-Methoxy-3-oxoprop-1-enyl)phenyl] 3-nitrobenzoate is C17H13NO6.
What is the molecular weight of [4-(3-Methoxy-3-oxoprop-1-enyl)phenyl] 3-nitrobenzoate?
The molecular weight of [4-(3-Methoxy-3-oxoprop-1-enyl)phenyl] 3-nitrobenzoate is 327.07 g/mol.
Where can I buy [4-(3-Methoxy-3-oxoprop-1-enyl)phenyl] 3-nitrobenzoate?
You can request a quote for [4-(3-Methoxy-3-oxoprop-1-enyl)phenyl] 3-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-(3-Methoxy-3-oxoprop-1-enyl)phenyl] 3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for [4-(3-Methoxy-3-oxoprop-1-enyl)phenyl] 3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.