![Ethyl 2-{[3-(4-butoxy-3-methoxyphenyl)-2-cyanoacryloyl]amino}-4-(4-methoxyphenyl)thiophene-3-carboxylate structure](/static/products/6570/6570-96-3.webp)
Ethyl 2-{[3-(4-butoxy-3-methoxyphenyl)-2-cyanoacryloyl]amino}-4-(4-methoxyphenyl)thiophene-3-carboxylate
TL;DR: Ethyl 2-{[3-(4-butoxy-3-methoxyphenyl)-2-cyanoacryloyl]amino}-4-(4-methoxyphenyl)thiophene-3-carboxylate (CAS 6570-96-3) is a chemical compound with molecular formula C29H30N2O6S and molecular weight 534.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[3-(4-butoxy-3-methoxyphenyl)-2-cyanoprop-2-enoyl]amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate
Also Known As: Ethyl 2-{[3-(4-butoxy-3-methoxyphenyl)-2-cyanoacryloyl]amino}-4-(4-methoxyphenyl)thiophene-3-carboxylate, ethyl 2-[[3-(4-butoxy-3-methoxyphenyl)-2-cyanoprop-2-enoyl]amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate, ethyl 2-[3-(4-butoxy-3-methoxyphenyl)-2-cyanoprop-2-enamido]-4-(4-methoxyphenyl)thiophene-3-carboxylate
| Molecular Formula | C29H30N2O6S |
|---|---|
| Molecular Weight | 534.18 g/mol |
| LogP | 6.33358 |
| Topological Polar Surface Area | 106.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 534.18243 |
| Heavy Atoms | 38 |
| Complexity | 1338.0885 |
Chemical Identifiers
| CAS Number | 6570-96-3 |
|---|---|
| SMILES | CCCCOC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)OC)C(=O)OCC)OC |
Product Overview
Ethyl 2-{[3-(4-butoxy-3-methoxyphenyl)-2-cyanoacryloyl]amino}-4-(4-methoxyphenyl)thiophene-3-carboxylate (CAS 6570-96-3), with molecular formula C29H30N2O6S and molecular weight 534.18 g/mol. IUPAC: ethyl 2-[[3-(4-butoxy-3-methoxyphenyl)-2-cyanoprop-2-enoyl]amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate.
Chemical Property Profile of Ethyl 2-{[3-(4-butoxy-3-methoxyphenyl)-2-cyanoacryloyl]amino}-4-(4-methoxyphenyl)thiophene-3-carboxylate
Property Insights of Ethyl 2-{[3-(4-butoxy-3-methoxyphenyl)-2-cyanoacryloyl]amino}-4-(4-methoxyphenyl)thiophene-3-carboxylate
The XLogP value of 6.33358 indicates that Ethyl 2-{[3-(4-butoxy-3-methoxyphenyl)-2-cyanoacryloyl]amino}-4-(4-methoxyphenyl)thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.88 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-{[3-(4-butoxy-3-methoxyphenyl)-2-cyanoacryloyl]amino}-4-(4-methoxyphenyl)thiophene-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-{[3-(4-butoxy-3-methoxyphenyl)-2-cyanoacryloyl]amino}-4-(4-methoxyphenyl)thiophene-3-carboxylate has 1 hydrogen bond donor(s) and 8 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-(4-butoxy-3-methoxyphenyl)-2-cyanoacryloyl]amino}-4-(4-methoxyphenyl)thiophene-3-carboxylate?
The CAS number of Ethyl 2-{[3-(4-butoxy-3-methoxyphenyl)-2-cyanoacryloyl]amino}-4-(4-methoxyphenyl)thiophene-3-carboxylate is 6570-96-3.
What is the molecular formula of Ethyl 2-{[3-(4-butoxy-3-methoxyphenyl)-2-cyanoacryloyl]amino}-4-(4-methoxyphenyl)thiophene-3-carboxylate?
The molecular formula of Ethyl 2-{[3-(4-butoxy-3-methoxyphenyl)-2-cyanoacryloyl]amino}-4-(4-methoxyphenyl)thiophene-3-carboxylate is C29H30N2O6S.
What is the molecular weight of Ethyl 2-{[3-(4-butoxy-3-methoxyphenyl)-2-cyanoacryloyl]amino}-4-(4-methoxyphenyl)thiophene-3-carboxylate?
The molecular weight of Ethyl 2-{[3-(4-butoxy-3-methoxyphenyl)-2-cyanoacryloyl]amino}-4-(4-methoxyphenyl)thiophene-3-carboxylate is 534.18 g/mol.
Where can I buy Ethyl 2-{[3-(4-butoxy-3-methoxyphenyl)-2-cyanoacryloyl]amino}-4-(4-methoxyphenyl)thiophene-3-carboxylate?
You can request a quote for Ethyl 2-{[3-(4-butoxy-3-methoxyphenyl)-2-cyanoacryloyl]amino}-4-(4-methoxyphenyl)thiophene-3-carboxylate 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-(4-butoxy-3-methoxyphenyl)-2-cyanoacryloyl]amino}-4-(4-methoxyphenyl)thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-{[3-(4-butoxy-3-methoxyphenyl)-2-cyanoacryloyl]amino}-4-(4-methoxyphenyl)thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.