(E)-ethyl 2-(2-cyano-3-(1-methyl-1H-indol-3-yl)acrylamido)-4,5-dimethylthiophene-3-carboxylate
TL;DR: (E)-ethyl 2-(2-cyano-3-(1-methyl-1H-indol-3-yl)acrylamido)-4,5-dimethylthiophene-3-carboxylate (CAS 314259-74-0) is a chemical compound with molecular formula C22H21N3O3S and molecular weight 407.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[(E)-2-cyano-3-(1-methylindol-3-yl)prop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate
Also Known As: (E)-ethyl 2-(2-cyano-3-(1-methyl-1H-indol-3-yl)acrylamido)-4,5-dimethylthiophene-3-carboxylate, F0862-0329, ethyl 2-[(2E)-2-cyano-3-(1-methyl-1H-indol-3-yl)prop-2-enamido]-4,5-dimethylthiophene-3-carboxylate, ethyl 2-[[(E)-2-cyano-3-(1-methylindol-3-yl)prop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate, ethyl 2-[(E)-1-cyano-2-(1-methyl-3-indolyl)ethenylcarbonylamino]-4,5-dimethyl-3-thenoate
| Molecular Formula | C22H21N3O3S |
|---|---|
| Molecular Weight | 407.13 g/mol |
| LogP | 4.57902 |
| Topological Polar Surface Area | 84.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 407.13037 |
| Heavy Atoms | 29 |
| Complexity | 1178.0819 |
Chemical Identifiers
| CAS Number | 314259-74-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C)NC(=O)/C(=C/C2=CN(C3=CC=CC=C32)C)/C#N |
Product Overview
(E)-ethyl 2-(2-cyano-3-(1-methyl-1H-indol-3-yl)acrylamido)-4,5-dimethylthiophene-3-carboxylate (CAS 314259-74-0), with molecular formula C22H21N3O3S and molecular weight 407.13 g/mol. IUPAC: ethyl 2-[[(E)-2-cyano-3-(1-methylindol-3-yl)prop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate.
Chemical Property Profile of (E)-ethyl 2-(2-cyano-3-(1-methyl-1H-indol-3-yl)acrylamido)-4,5-dimethylthiophene-3-carboxylate
Property Insights of (E)-ethyl 2-(2-cyano-3-(1-methyl-1H-indol-3-yl)acrylamido)-4,5-dimethylthiophene-3-carboxylate
The XLogP value of 4.57902 indicates that (E)-ethyl 2-(2-cyano-3-(1-methyl-1H-indol-3-yl)acrylamido)-4,5-dimethylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.12 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-ethyl 2-(2-cyano-3-(1-methyl-1H-indol-3-yl)acrylamido)-4,5-dimethylthiophene-3-carboxylate. Following Lipinski's Rule of Five, (E)-ethyl 2-(2-cyano-3-(1-methyl-1H-indol-3-yl)acrylamido)-4,5-dimethylthiophene-3-carboxylate has 1 hydrogen bond donor(s) and 5 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 (E)-ethyl 2-(2-cyano-3-(1-methyl-1H-indol-3-yl)acrylamido)-4,5-dimethylthiophene-3-carboxylate?
The CAS number of (E)-ethyl 2-(2-cyano-3-(1-methyl-1H-indol-3-yl)acrylamido)-4,5-dimethylthiophene-3-carboxylate is 314259-74-0.
What is the molecular formula of (E)-ethyl 2-(2-cyano-3-(1-methyl-1H-indol-3-yl)acrylamido)-4,5-dimethylthiophene-3-carboxylate?
The molecular formula of (E)-ethyl 2-(2-cyano-3-(1-methyl-1H-indol-3-yl)acrylamido)-4,5-dimethylthiophene-3-carboxylate is C22H21N3O3S.
What is the molecular weight of (E)-ethyl 2-(2-cyano-3-(1-methyl-1H-indol-3-yl)acrylamido)-4,5-dimethylthiophene-3-carboxylate?
The molecular weight of (E)-ethyl 2-(2-cyano-3-(1-methyl-1H-indol-3-yl)acrylamido)-4,5-dimethylthiophene-3-carboxylate is 407.13 g/mol.
Where can I buy (E)-ethyl 2-(2-cyano-3-(1-methyl-1H-indol-3-yl)acrylamido)-4,5-dimethylthiophene-3-carboxylate?
You can request a quote for (E)-ethyl 2-(2-cyano-3-(1-methyl-1H-indol-3-yl)acrylamido)-4,5-dimethylthiophene-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-(1-methyl-1H-indol-3-yl)acrylamido)-4,5-dimethylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (E)-ethyl 2-(2-cyano-3-(1-methyl-1H-indol-3-yl)acrylamido)-4,5-dimethylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.