3-nitrophenyl (2E)-3-phenylprop-2-enoate
TL;DR: 3-nitrophenyl (2E)-3-phenylprop-2-enoate (CAS 1185863-62-0) is a chemical compound with molecular formula C15H11NO4 and molecular weight 269.06882 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3-nitrophenyl) (E)-3-phenylprop-2-enoate
Also Known As: 3-nitrophenyl 3-phenylacrylate, Cinnamic acid 3-nitrophenyl ester, 3-nitrophenyl (2E)-3-phenylprop-2-enoate, trans-Cinnamic acid 3-nitrophenyl ester, 3-Phenylacrylic acid 3-nitrophenyl ester
Technical Specifications
| Molecular Formula | C15H11NO4 |
| Molecular Weight | 269.06882 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 269.06882 Da |
| Heavy Atoms | 20 |
| Complexity | 369.0 |
| SMILES | C1=CC=C(C=C1)/C=C/C(=O)OC2=CC=CC(=C2)[N+](=O)[O-] |
| InChIKey | ZFKPYJMKBKCQED-MDZDMXLPSA-N |
Chemical Property Profile of 3-nitrophenyl (2E)-3-phenylprop-2-enoate
Property Insights of 3-nitrophenyl (2E)-3-phenylprop-2-enoate
The XLogP value of 3.9 indicates that 3-nitrophenyl (2E)-3-phenylprop-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-nitrophenyl (2E)-3-phenylprop-2-enoate. Following Lipinski's Rule of Five, 3-nitrophenyl (2E)-3-phenylprop-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
What is the CAS number of 3-nitrophenyl (2E)-3-phenylprop-2-enoate?
The CAS number of 3-nitrophenyl (2E)-3-phenylprop-2-enoate is 1185863-62-0.
What is the molecular formula of 3-nitrophenyl (2E)-3-phenylprop-2-enoate?
The molecular formula of 3-nitrophenyl (2E)-3-phenylprop-2-enoate is C15H11NO4.
What is the molecular weight of 3-nitrophenyl (2E)-3-phenylprop-2-enoate?
The molecular weight of 3-nitrophenyl (2E)-3-phenylprop-2-enoate is 269.06882 g/mol.
Where can I buy 3-nitrophenyl (2E)-3-phenylprop-2-enoate?
You can request a quote for 3-nitrophenyl (2E)-3-phenylprop-2-enoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-nitrophenyl (2E)-3-phenylprop-2-enoate?
Yes, CoreyChem provides custom synthesis services for 3-nitrophenyl (2E)-3-phenylprop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.