![2-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-4-fluorophenyl 3-nitrobenzoate structure](/static/products/433/433306-54-8.png)
2-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-4-fluorophenyl 3-nitrobenzoate
TL;DR: 2-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-4-fluorophenyl 3-nitrobenzoate (CAS 433306-54-8) is a chemical compound with molecular formula C22H13ClFNO5 and molecular weight 425.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-4-fluorophenyl] 3-nitrobenzoate
Also Known As: [2-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-4-fluorophenyl] 3-nitrobenzoate|2-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-4-fluorophenyl 3-nitrobenzoate|(E)-2-(3-(4-chlorophenyl)acryloyl)-4-fluorophenyl 3-nitrobenzoate|[2-[3-(4-chlorophenyl)prop-2-enoyl]-4-fluoro-phenyl] 3-nitrobenzoate
| Molecular Formula | C22H13ClFNO5 |
|---|---|
| Molecular Weight | 425.05 g/mol |
| LogP | 5.5026 |
| Topological Polar Surface Area | 86.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 425.04663 |
| Heavy Atoms | 30 |
| Complexity | 1158.4445 |
Chemical Identifiers
| CAS Number | 433306-54-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC2=C(C=C(C=C2)F)C(=O)/C=C/C3=CC=C(C=C3)Cl |
Product Overview
2-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-4-fluorophenyl 3-nitrobenzoate (CAS 433306-54-8), with molecular formula C22H13ClFNO5 and molecular weight 425.05 g/mol. IUPAC: [2-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-4-fluorophenyl] 3-nitrobenzoate.
Chemical Property Profile of 2-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-4-fluorophenyl 3-nitrobenzoate
Property Insights of 2-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-4-fluorophenyl 3-nitrobenzoate
The XLogP value of 5.5026 indicates that 2-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-4-fluorophenyl 3-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-4-fluorophenyl 3-nitrobenzoate. Following Lipinski's Rule of Five, 2-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-4-fluorophenyl 3-nitrobenzoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-4-fluorophenyl 3-nitrobenzoate?
The CAS number of 2-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-4-fluorophenyl 3-nitrobenzoate is 433306-54-8.
What is the molecular formula of 2-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-4-fluorophenyl 3-nitrobenzoate?
The molecular formula of 2-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-4-fluorophenyl 3-nitrobenzoate is C22H13ClFNO5.
What is the molecular weight of 2-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-4-fluorophenyl 3-nitrobenzoate?
The molecular weight of 2-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-4-fluorophenyl 3-nitrobenzoate is 425.05 g/mol.
Where can I buy 2-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-4-fluorophenyl 3-nitrobenzoate?
You can request a quote for 2-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-4-fluorophenyl 3-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-4-fluorophenyl 3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-4-fluorophenyl 3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.