(E)-ethyl 2-(2-cyano-3-(3-nitrophenyl)acrylamido)-4-phenylthiophene-3-carboxylate
TL;DR: (E)-ethyl 2-(2-cyano-3-(3-nitrophenyl)acrylamido)-4-phenylthiophene-3-carboxylate (CAS 327075-52-5) is a chemical compound with molecular formula C23H17N3O5S and molecular weight 447.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[(E)-2-cyano-3-(3-nitrophenyl)prop-2-enoyl]amino]-4-phenylthiophene-3-carboxylate
Also Known As: (E)-ethyl 2-(2-cyano-3-(3-nitrophenyl)acrylamido)-4-phenylthiophene-3-carboxylate, Ethyl 2-[[2-cyano-3-(3-nitrophenyl)prop-2-enoyl]amino]-4-phenyl-thiophene-3-carboxylate, ethyl 2-[(2E)-2-cyano-3-(3-nitrophenyl)prop-2-enoylamino]-4-phenylthiophene-3- carboxylate, ethyl 2-[[(E)-2-cyano-3-(3-nitrophenyl)prop-2-enoyl]amino]-4-phenylthiophene-3-carboxylate, ethyl 2-{[(2E)-2-cyano-3-(3-nitrophenyl)prop-2-enoyl]amino}-4-phenylthiophene-3-carboxylate
| Molecular Formula | C23H17N3O5S |
|---|---|
| Molecular Weight | 447.09 g/mol |
| LogP | 5.04568 |
| Topological Polar Surface Area | 122.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 447.0889 |
| Heavy Atoms | 32 |
| Complexity | 1242.0178 |
Chemical Identifiers
| CAS Number | 327075-52-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)/C(=C/C3=CC(=CC=C3)[N+](=O)[O-])/C#N |
Product Overview
(E)-ethyl 2-(2-cyano-3-(3-nitrophenyl)acrylamido)-4-phenylthiophene-3-carboxylate (CAS 327075-52-5), with molecular formula C23H17N3O5S and molecular weight 447.09 g/mol. IUPAC: ethyl 2-[[(E)-2-cyano-3-(3-nitrophenyl)prop-2-enoyl]amino]-4-phenylthiophene-3-carboxylate.
Chemical Property Profile of (E)-ethyl 2-(2-cyano-3-(3-nitrophenyl)acrylamido)-4-phenylthiophene-3-carboxylate
Property Insights of (E)-ethyl 2-(2-cyano-3-(3-nitrophenyl)acrylamido)-4-phenylthiophene-3-carboxylate
The XLogP value of 5.04568 indicates that (E)-ethyl 2-(2-cyano-3-(3-nitrophenyl)acrylamido)-4-phenylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.33 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-ethyl 2-(2-cyano-3-(3-nitrophenyl)acrylamido)-4-phenylthiophene-3-carboxylate. Following Lipinski's Rule of Five, (E)-ethyl 2-(2-cyano-3-(3-nitrophenyl)acrylamido)-4-phenylthiophene-3-carboxylate 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 (E)-ethyl 2-(2-cyano-3-(3-nitrophenyl)acrylamido)-4-phenylthiophene-3-carboxylate?
The CAS number of (E)-ethyl 2-(2-cyano-3-(3-nitrophenyl)acrylamido)-4-phenylthiophene-3-carboxylate is 327075-52-5.
What is the molecular formula of (E)-ethyl 2-(2-cyano-3-(3-nitrophenyl)acrylamido)-4-phenylthiophene-3-carboxylate?
The molecular formula of (E)-ethyl 2-(2-cyano-3-(3-nitrophenyl)acrylamido)-4-phenylthiophene-3-carboxylate is C23H17N3O5S.
What is the molecular weight of (E)-ethyl 2-(2-cyano-3-(3-nitrophenyl)acrylamido)-4-phenylthiophene-3-carboxylate?
The molecular weight of (E)-ethyl 2-(2-cyano-3-(3-nitrophenyl)acrylamido)-4-phenylthiophene-3-carboxylate is 447.09 g/mol.
Where can I buy (E)-ethyl 2-(2-cyano-3-(3-nitrophenyl)acrylamido)-4-phenylthiophene-3-carboxylate?
You can request a quote for (E)-ethyl 2-(2-cyano-3-(3-nitrophenyl)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-(3-nitrophenyl)acrylamido)-4-phenylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (E)-ethyl 2-(2-cyano-3-(3-nitrophenyl)acrylamido)-4-phenylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.