Benzyl (2E)-3-(3-nitrophenyl)prop-2-enoate
TL;DR: Benzyl (2E)-3-(3-nitrophenyl)prop-2-enoate (CAS 518045-06-2) is a chemical compound with molecular formula C16H13NO4 and molecular weight 283.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl (E)-3-(3-nitrophenyl)prop-2-enoate
Also Known As: Benzyl (2E)-3-(3-nitrophenyl)prop-2-enoate, benzyl (E)-3-(3-nitrophenyl)prop-2-enoate
| Molecular Formula | C16H13NO4 |
|---|---|
| Molecular Weight | 283.08 g/mol |
| LogP | 3.3514 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 283.08447 |
| Heavy Atoms | 21 |
| Complexity | 664.987 |
Chemical Identifiers
| CAS Number | 518045-06-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-] |
Product Overview
Benzyl (2E)-3-(3-nitrophenyl)prop-2-enoate (CAS 518045-06-2), with molecular formula C16H13NO4 and molecular weight 283.08 g/mol. IUPAC: benzyl (E)-3-(3-nitrophenyl)prop-2-enoate.
Chemical Property Profile of Benzyl (2E)-3-(3-nitrophenyl)prop-2-enoate
Property Insights of Benzyl (2E)-3-(3-nitrophenyl)prop-2-enoate
The XLogP value of 3.3514 indicates that Benzyl (2E)-3-(3-nitrophenyl)prop-2-enoate 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 Benzyl (2E)-3-(3-nitrophenyl)prop-2-enoate. Following Lipinski's Rule of Five, Benzyl (2E)-3-(3-nitrophenyl)prop-2-enoate 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 Benzyl (2E)-3-(3-nitrophenyl)prop-2-enoate?
The CAS number of Benzyl (2E)-3-(3-nitrophenyl)prop-2-enoate is 518045-06-2.
What is the molecular formula of Benzyl (2E)-3-(3-nitrophenyl)prop-2-enoate?
The molecular formula of Benzyl (2E)-3-(3-nitrophenyl)prop-2-enoate is C16H13NO4.
What is the molecular weight of Benzyl (2E)-3-(3-nitrophenyl)prop-2-enoate?
The molecular weight of Benzyl (2E)-3-(3-nitrophenyl)prop-2-enoate is 283.08 g/mol.
Where can I buy Benzyl (2E)-3-(3-nitrophenyl)prop-2-enoate?
You can request a quote for Benzyl (2E)-3-(3-nitrophenyl)prop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl (2E)-3-(3-nitrophenyl)prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl (2E)-3-(3-nitrophenyl)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.