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[2-(2-Nitroprop-1-enyl)phenyl] 4-bromobenzoate
TL;DR: [2-(2-Nitroprop-1-enyl)phenyl] 4-bromobenzoate (CAS 5529-35-1) is a chemical compound with molecular formula C16H12BrNO4 and molecular weight 360.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2-nitroprop-1-enyl)phenyl] 4-bromobenzoate
Also Known As: [2-(2-nitroprop-1-enyl)phenyl] 4-bromobenzoate|2-(2-Nitroprop-1-en-1-yl)phenyl 4-bromobenzoate
| Molecular Formula | C16H12BrNO4 |
|---|---|
| Molecular Weight | 360.99 g/mol |
| LogP | 4.3058 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 360.99496 |
| Heavy Atoms | 22 |
| Complexity | 738.066 |
Chemical Identifiers
| CAS Number | 5529-35-1 |
|---|---|
| SMILES | CC(=CC1=CC=CC=C1OC(=O)C2=CC=C(C=C2)Br)[N+](=O)[O-] |
Product Overview
[2-(2-Nitroprop-1-enyl)phenyl] 4-bromobenzoate (CAS 5529-35-1), with molecular formula C16H12BrNO4 and molecular weight 360.99 g/mol. IUPAC: [2-(2-nitroprop-1-enyl)phenyl] 4-bromobenzoate.
Chemical Property Profile of [2-(2-Nitroprop-1-enyl)phenyl] 4-bromobenzoate
Property Insights of [2-(2-Nitroprop-1-enyl)phenyl] 4-bromobenzoate
The XLogP value of 4.3058 indicates that [2-(2-Nitroprop-1-enyl)phenyl] 4-bromobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-(2-Nitroprop-1-enyl)phenyl] 4-bromobenzoate. Following Lipinski's Rule of Five, [2-(2-Nitroprop-1-enyl)phenyl] 4-bromobenzoate has 0 hydrogen bond donor(s) and 4 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 [2-(2-Nitroprop-1-enyl)phenyl] 4-bromobenzoate?
The CAS number of [2-(2-Nitroprop-1-enyl)phenyl] 4-bromobenzoate is 5529-35-1.
What is the molecular formula of [2-(2-Nitroprop-1-enyl)phenyl] 4-bromobenzoate?
The molecular formula of [2-(2-Nitroprop-1-enyl)phenyl] 4-bromobenzoate is C16H12BrNO4.
What is the molecular weight of [2-(2-Nitroprop-1-enyl)phenyl] 4-bromobenzoate?
The molecular weight of [2-(2-Nitroprop-1-enyl)phenyl] 4-bromobenzoate is 360.99 g/mol.
Where can I buy [2-(2-Nitroprop-1-enyl)phenyl] 4-bromobenzoate?
You can request a quote for [2-(2-Nitroprop-1-enyl)phenyl] 4-bromobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-(2-Nitroprop-1-enyl)phenyl] 4-bromobenzoate?
Yes, KEHONG BIO provides custom synthesis services for [2-(2-Nitroprop-1-enyl)phenyl] 4-bromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.