(E)-methyl 2-(2-cyano-3-(thiophen-2-yl)acrylamido)-4,5-dimethylthiophene-3-carboxylate
TL;DR: (E)-methyl 2-(2-cyano-3-(thiophen-2-yl)acrylamido)-4,5-dimethylthiophene-3-carboxylate (CAS 468749-12-4) is a chemical compound with molecular formula C16H14N2O3S2 and molecular weight 346.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[(E)-2-cyano-3-thiophen-2-ylprop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate
Also Known As: (E)-methyl 2-(2-cyano-3-(thiophen-2-yl)acrylamido)-4,5-dimethylthiophene-3-carboxylate, AB00673979-01, F1305-0100, METHYL 2-[(2E)-2-CYANO-3-(THIOPHEN-2-YL)PROP-2-ENAMIDO]-4,5-DIMETHYLTHIOPHENE-3-CARBOXYLATE, methyl 2-[[(E)-2-cyano-3-thiophen-2-ylprop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate
| Molecular Formula | C16H14N2O3S2 |
|---|---|
| Molecular Weight | 346.04 g/mol |
| LogP | 3.75872 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 346.0446 |
| Heavy Atoms | 23 |
| Complexity | 811.2392 |
Chemical Identifiers
| CAS Number | 468749-12-4 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC)NC(=O)/C(=C/C2=CC=CS2)/C#N)C |
Product Overview
(E)-methyl 2-(2-cyano-3-(thiophen-2-yl)acrylamido)-4,5-dimethylthiophene-3-carboxylate (CAS 468749-12-4), with molecular formula C16H14N2O3S2 and molecular weight 346.04 g/mol. IUPAC: methyl 2-[[(E)-2-cyano-3-thiophen-2-ylprop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate.
Chemical Property Profile of (E)-methyl 2-(2-cyano-3-(thiophen-2-yl)acrylamido)-4,5-dimethylthiophene-3-carboxylate
Property Insights of (E)-methyl 2-(2-cyano-3-(thiophen-2-yl)acrylamido)-4,5-dimethylthiophene-3-carboxylate
The XLogP value of 3.75872 indicates that (E)-methyl 2-(2-cyano-3-(thiophen-2-yl)acrylamido)-4,5-dimethylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-methyl 2-(2-cyano-3-(thiophen-2-yl)acrylamido)-4,5-dimethylthiophene-3-carboxylate. Following Lipinski's Rule of Five, (E)-methyl 2-(2-cyano-3-(thiophen-2-yl)acrylamido)-4,5-dimethylthiophene-3-carboxylate has 1 hydrogen bond donor(s) and 6 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)-methyl 2-(2-cyano-3-(thiophen-2-yl)acrylamido)-4,5-dimethylthiophene-3-carboxylate?
The CAS number of (E)-methyl 2-(2-cyano-3-(thiophen-2-yl)acrylamido)-4,5-dimethylthiophene-3-carboxylate is 468749-12-4.
What is the molecular formula of (E)-methyl 2-(2-cyano-3-(thiophen-2-yl)acrylamido)-4,5-dimethylthiophene-3-carboxylate?
The molecular formula of (E)-methyl 2-(2-cyano-3-(thiophen-2-yl)acrylamido)-4,5-dimethylthiophene-3-carboxylate is C16H14N2O3S2.
What is the molecular weight of (E)-methyl 2-(2-cyano-3-(thiophen-2-yl)acrylamido)-4,5-dimethylthiophene-3-carboxylate?
The molecular weight of (E)-methyl 2-(2-cyano-3-(thiophen-2-yl)acrylamido)-4,5-dimethylthiophene-3-carboxylate is 346.04 g/mol.
Where can I buy (E)-methyl 2-(2-cyano-3-(thiophen-2-yl)acrylamido)-4,5-dimethylthiophene-3-carboxylate?
You can request a quote for (E)-methyl 2-(2-cyano-3-(thiophen-2-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)-methyl 2-(2-cyano-3-(thiophen-2-yl)acrylamido)-4,5-dimethylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (E)-methyl 2-(2-cyano-3-(thiophen-2-yl)acrylamido)-4,5-dimethylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.