![5-methoxy-2-[(2E)-3-(thiophen-2-yl)prop-2-enoyl]phenyl 3-nitrobenzoate structure](/static/products/116/1164461-62-4.png)
5-methoxy-2-[(2E)-3-(thiophen-2-yl)prop-2-enoyl]phenyl 3-nitrobenzoate
TL;DR: 5-methoxy-2-[(2E)-3-(thiophen-2-yl)prop-2-enoyl]phenyl 3-nitrobenzoate (CAS 1164461-62-4) is a chemical compound with molecular formula C21H15NO6S and molecular weight 409.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-methoxy-2-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] 3-nitrobenzoate
Also Known As: VU0198240-3, 5-methoxy-2-[(2E)-3-(thiophen-2-yl)prop-2-enoyl]phenyl 3-nitrobenzoate, 5-methoxy-2-[3-(2-thienyl)acryloyl]phenyl 3-nitrobenzoate, [5-methoxy-2-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] 3-nitrobenzoate, (E)-5-methoxy-2-(3-(thiophen-2-yl)acryloyl)phenyl 3-nitrobenzoate
| Molecular Formula | C21H15NO6S |
|---|---|
| Molecular Weight | 409.06 g/mol |
| LogP | 4.7802 |
| Topological Polar Surface Area | 95.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 409.062 |
| Heavy Atoms | 29 |
| Complexity | 1088.3105 |
Chemical Identifiers
| CAS Number | 1164461-62-4 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)C(=O)/C=C/C2=CC=CS2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
5-methoxy-2-[(2E)-3-(thiophen-2-yl)prop-2-enoyl]phenyl 3-nitrobenzoate (CAS 1164461-62-4), with molecular formula C21H15NO6S and molecular weight 409.06 g/mol. IUPAC: [5-methoxy-2-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] 3-nitrobenzoate.
Chemical Property Profile of 5-methoxy-2-[(2E)-3-(thiophen-2-yl)prop-2-enoyl]phenyl 3-nitrobenzoate
Property Insights of 5-methoxy-2-[(2E)-3-(thiophen-2-yl)prop-2-enoyl]phenyl 3-nitrobenzoate
The XLogP value of 4.7802 indicates that 5-methoxy-2-[(2E)-3-(thiophen-2-yl)prop-2-enoyl]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 5-methoxy-2-[(2E)-3-(thiophen-2-yl)prop-2-enoyl]phenyl 3-nitrobenzoate. Following Lipinski's Rule of Five, 5-methoxy-2-[(2E)-3-(thiophen-2-yl)prop-2-enoyl]phenyl 3-nitrobenzoate has 0 hydrogen bond donor(s) and 7 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 5-methoxy-2-[(2E)-3-(thiophen-2-yl)prop-2-enoyl]phenyl 3-nitrobenzoate?
The CAS number of 5-methoxy-2-[(2E)-3-(thiophen-2-yl)prop-2-enoyl]phenyl 3-nitrobenzoate is 1164461-62-4.
What is the molecular formula of 5-methoxy-2-[(2E)-3-(thiophen-2-yl)prop-2-enoyl]phenyl 3-nitrobenzoate?
The molecular formula of 5-methoxy-2-[(2E)-3-(thiophen-2-yl)prop-2-enoyl]phenyl 3-nitrobenzoate is C21H15NO6S.
What is the molecular weight of 5-methoxy-2-[(2E)-3-(thiophen-2-yl)prop-2-enoyl]phenyl 3-nitrobenzoate?
The molecular weight of 5-methoxy-2-[(2E)-3-(thiophen-2-yl)prop-2-enoyl]phenyl 3-nitrobenzoate is 409.06 g/mol.
Where can I buy 5-methoxy-2-[(2E)-3-(thiophen-2-yl)prop-2-enoyl]phenyl 3-nitrobenzoate?
You can request a quote for 5-methoxy-2-[(2E)-3-(thiophen-2-yl)prop-2-enoyl]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 5-methoxy-2-[(2E)-3-(thiophen-2-yl)prop-2-enoyl]phenyl 3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 5-methoxy-2-[(2E)-3-(thiophen-2-yl)prop-2-enoyl]phenyl 3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.