![Ethyl 2-[[3-(3-bromo-4-methoxyphenyl)-2-cyano-1-oxo-2-propen-1-yl]amino]-4-(4-methoxyphenyl)-3-thiophenecarboxylate structure](/static/products/4655/465514-40-3.webp)
Ethyl 2-[[3-(3-bromo-4-methoxyphenyl)-2-cyano-1-oxo-2-propen-1-yl]amino]-4-(4-methoxyphenyl)-3-thiophenecarboxylate
TL;DR: Ethyl 2-[[3-(3-bromo-4-methoxyphenyl)-2-cyano-1-oxo-2-propen-1-yl]amino]-4-(4-methoxyphenyl)-3-thiophenecarboxylate (CAS 465514-40-3) is a chemical compound with molecular formula C25H21BrN2O5S and molecular weight 540.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[3-(3-bromo-4-methoxyphenyl)-2-cyanoprop-2-enoyl]amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate
Also Known As: Ethyl 2-[[3-(3-bromo-4-methoxyphenyl)-2-cyano-1-oxo-2-propen-1-yl]amino]-4-(4-methoxyphenyl)-3-thiophenecarboxylate, ethyl 2-[[3-(3-bromo-4-methoxyphenyl)-2-cyanoprop-2-enoyl]amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate
| Molecular Formula | C25H21BrN2O5S |
|---|---|
| Molecular Weight | 540.04 g/mol |
| LogP | 5.91718 |
| Topological Polar Surface Area | 97.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 540.03546 |
| Heavy Atoms | 34 |
| Complexity | 1275.4484 |
Chemical Identifiers
| CAS Number | 465514-40-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)OC)NC(=O)C(=CC3=CC(=C(C=C3)OC)Br)C#N |
Product Overview
Ethyl 2-[[3-(3-bromo-4-methoxyphenyl)-2-cyano-1-oxo-2-propen-1-yl]amino]-4-(4-methoxyphenyl)-3-thiophenecarboxylate (CAS 465514-40-3), with molecular formula C25H21BrN2O5S and molecular weight 540.04 g/mol. IUPAC: ethyl 2-[[3-(3-bromo-4-methoxyphenyl)-2-cyanoprop-2-enoyl]amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate.
Chemical Property Profile of Ethyl 2-[[3-(3-bromo-4-methoxyphenyl)-2-cyano-1-oxo-2-propen-1-yl]amino]-4-(4-methoxyphenyl)-3-thiophenecarboxylate
Property Insights of Ethyl 2-[[3-(3-bromo-4-methoxyphenyl)-2-cyano-1-oxo-2-propen-1-yl]amino]-4-(4-methoxyphenyl)-3-thiophenecarboxylate
The XLogP value of 5.91718 indicates that Ethyl 2-[[3-(3-bromo-4-methoxyphenyl)-2-cyano-1-oxo-2-propen-1-yl]amino]-4-(4-methoxyphenyl)-3-thiophenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.65 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[[3-(3-bromo-4-methoxyphenyl)-2-cyano-1-oxo-2-propen-1-yl]amino]-4-(4-methoxyphenyl)-3-thiophenecarboxylate. Following Lipinski's Rule of Five, Ethyl 2-[[3-(3-bromo-4-methoxyphenyl)-2-cyano-1-oxo-2-propen-1-yl]amino]-4-(4-methoxyphenyl)-3-thiophenecarboxylate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 2-[[3-(3-bromo-4-methoxyphenyl)-2-cyano-1-oxo-2-propen-1-yl]amino]-4-(4-methoxyphenyl)-3-thiophenecarboxylate?
The CAS number of Ethyl 2-[[3-(3-bromo-4-methoxyphenyl)-2-cyano-1-oxo-2-propen-1-yl]amino]-4-(4-methoxyphenyl)-3-thiophenecarboxylate is 465514-40-3.
What is the molecular formula of Ethyl 2-[[3-(3-bromo-4-methoxyphenyl)-2-cyano-1-oxo-2-propen-1-yl]amino]-4-(4-methoxyphenyl)-3-thiophenecarboxylate?
The molecular formula of Ethyl 2-[[3-(3-bromo-4-methoxyphenyl)-2-cyano-1-oxo-2-propen-1-yl]amino]-4-(4-methoxyphenyl)-3-thiophenecarboxylate is C25H21BrN2O5S.
What is the molecular weight of Ethyl 2-[[3-(3-bromo-4-methoxyphenyl)-2-cyano-1-oxo-2-propen-1-yl]amino]-4-(4-methoxyphenyl)-3-thiophenecarboxylate?
The molecular weight of Ethyl 2-[[3-(3-bromo-4-methoxyphenyl)-2-cyano-1-oxo-2-propen-1-yl]amino]-4-(4-methoxyphenyl)-3-thiophenecarboxylate is 540.04 g/mol.
Where can I buy Ethyl 2-[[3-(3-bromo-4-methoxyphenyl)-2-cyano-1-oxo-2-propen-1-yl]amino]-4-(4-methoxyphenyl)-3-thiophenecarboxylate?
You can request a quote for Ethyl 2-[[3-(3-bromo-4-methoxyphenyl)-2-cyano-1-oxo-2-propen-1-yl]amino]-4-(4-methoxyphenyl)-3-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-[[3-(3-bromo-4-methoxyphenyl)-2-cyano-1-oxo-2-propen-1-yl]amino]-4-(4-methoxyphenyl)-3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[[3-(3-bromo-4-methoxyphenyl)-2-cyano-1-oxo-2-propen-1-yl]amino]-4-(4-methoxyphenyl)-3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.