(E)-ethyl 2-(2-cyano-3-(4-(pentyloxy)phenyl)acrylamido)-4-phenylthiophene-3-carboxylate
TL;DR: (E)-ethyl 2-(2-cyano-3-(4-(pentyloxy)phenyl)acrylamido)-4-phenylthiophene-3-carboxylate (CAS 372972-07-1) is a chemical compound with molecular formula C28H28N2O4S and molecular weight 488.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[(E)-2-cyano-3-(4-pentoxyphenyl)prop-2-enoyl]amino]-4-phenylthiophene-3-carboxylate
Also Known As: (E)-ethyl 2-(2-cyano-3-(4-(pentyloxy)phenyl)acrylamido)-4-phenylthiophene-3-carboxylate, Ethyl 2-[[2-cyano-3-(4-pentoxyphenyl)prop-2-enoyl]amino]-4-phenyl-thiophene-3-carboxylate, 2-[2-cyano-3-(4-pentyloxy-phenyl)-acryloylamino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester, ethyl 2-({(2E)-2-cyano-3-[4-(pentyloxy)phenyl]prop-2-enoyl}amino)-4-phenylthiophene-3-carboxylate, ethyl 2-[(2E)-2-cyano-3-(4-pentyloxyphenyl)prop-2-enoylamino]-4-phenylthiophen e-3-carboxylate
| Molecular Formula | C28H28N2O4S |
|---|---|
| Molecular Weight | 488.18 g/mol |
| LogP | 6.70648 |
| Topological Polar Surface Area | 88.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 488.17697 |
| Heavy Atoms | 35 |
| Complexity | 1208.0043 |
Chemical Identifiers
| CAS Number | 372972-07-1 |
|---|---|
| SMILES | CCCCCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)OCC |
Product Overview
(E)-ethyl 2-(2-cyano-3-(4-(pentyloxy)phenyl)acrylamido)-4-phenylthiophene-3-carboxylate (CAS 372972-07-1), with molecular formula C28H28N2O4S and molecular weight 488.18 g/mol. IUPAC: ethyl 2-[[(E)-2-cyano-3-(4-pentoxyphenyl)prop-2-enoyl]amino]-4-phenylthiophene-3-carboxylate.
Chemical Property Profile of (E)-ethyl 2-(2-cyano-3-(4-(pentyloxy)phenyl)acrylamido)-4-phenylthiophene-3-carboxylate
Property Insights of (E)-ethyl 2-(2-cyano-3-(4-(pentyloxy)phenyl)acrylamido)-4-phenylthiophene-3-carboxylate
The XLogP value of 6.70648 indicates that (E)-ethyl 2-(2-cyano-3-(4-(pentyloxy)phenyl)acrylamido)-4-phenylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.42 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-ethyl 2-(2-cyano-3-(4-(pentyloxy)phenyl)acrylamido)-4-phenylthiophene-3-carboxylate. Following Lipinski's Rule of Five, (E)-ethyl 2-(2-cyano-3-(4-(pentyloxy)phenyl)acrylamido)-4-phenylthiophene-3-carboxylate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-ethyl 2-(2-cyano-3-(4-(pentyloxy)phenyl)acrylamido)-4-phenylthiophene-3-carboxylate?
The CAS number of (E)-ethyl 2-(2-cyano-3-(4-(pentyloxy)phenyl)acrylamido)-4-phenylthiophene-3-carboxylate is 372972-07-1.
What is the molecular formula of (E)-ethyl 2-(2-cyano-3-(4-(pentyloxy)phenyl)acrylamido)-4-phenylthiophene-3-carboxylate?
The molecular formula of (E)-ethyl 2-(2-cyano-3-(4-(pentyloxy)phenyl)acrylamido)-4-phenylthiophene-3-carboxylate is C28H28N2O4S.
What is the molecular weight of (E)-ethyl 2-(2-cyano-3-(4-(pentyloxy)phenyl)acrylamido)-4-phenylthiophene-3-carboxylate?
The molecular weight of (E)-ethyl 2-(2-cyano-3-(4-(pentyloxy)phenyl)acrylamido)-4-phenylthiophene-3-carboxylate is 488.18 g/mol.
Where can I buy (E)-ethyl 2-(2-cyano-3-(4-(pentyloxy)phenyl)acrylamido)-4-phenylthiophene-3-carboxylate?
You can request a quote for (E)-ethyl 2-(2-cyano-3-(4-(pentyloxy)phenyl)acrylamido)-4-phenylthiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-ethyl 2-(2-cyano-3-(4-(pentyloxy)phenyl)acrylamido)-4-phenylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (E)-ethyl 2-(2-cyano-3-(4-(pentyloxy)phenyl)acrylamido)-4-phenylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.