(E)-ethyl 2-(2-cyano-3-(4-isopropylphenyl)acrylamido)-4-methylthiazole-5-carboxylate
TL;DR: (E)-ethyl 2-(2-cyano-3-(4-isopropylphenyl)acrylamido)-4-methylthiazole-5-carboxylate (CAS 469872-52-4) is a chemical compound with molecular formula C20H21N3O3S and molecular weight 383.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[(E)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: (E)-ethyl 2-(2-cyano-3-(4-isopropylphenyl)acrylamido)-4-methylthiazole-5-carboxylate, ethyl (2E)-2-({(2E)-2-cyano-3-[4-(propan-2-yl)phenyl]prop-2-enoyl}imino)-4-methyl-2,3-dihydro-1,3-thiazole-5-carboxylate, ethyl 2-[[(E)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate, ethyl 2-{(2E)-2-cyano-3-[4-(methylethyl)phenyl]prop-2-enoylamino}-4-methyl-1,3 -thiazole-5-carboxylate
| Molecular Formula | C20H21N3O3S |
|---|---|
| Molecular Weight | 383.13 g/mol |
| LogP | 4.2973 |
| Topological Polar Surface Area | 92.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 383.13037 |
| Heavy Atoms | 27 |
| Complexity | 905.5434 |
Chemical Identifiers
| CAS Number | 469872-52-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(S1)NC(=O)/C(=C/C2=CC=C(C=C2)C(C)C)/C#N)C |
Product Overview
(E)-ethyl 2-(2-cyano-3-(4-isopropylphenyl)acrylamido)-4-methylthiazole-5-carboxylate (CAS 469872-52-4), with molecular formula C20H21N3O3S and molecular weight 383.13 g/mol. IUPAC: ethyl 2-[[(E)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of (E)-ethyl 2-(2-cyano-3-(4-isopropylphenyl)acrylamido)-4-methylthiazole-5-carboxylate
Property Insights of (E)-ethyl 2-(2-cyano-3-(4-isopropylphenyl)acrylamido)-4-methylthiazole-5-carboxylate
The XLogP value of 4.2973 indicates that (E)-ethyl 2-(2-cyano-3-(4-isopropylphenyl)acrylamido)-4-methylthiazole-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.08 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-ethyl 2-(2-cyano-3-(4-isopropylphenyl)acrylamido)-4-methylthiazole-5-carboxylate. Following Lipinski's Rule of Five, (E)-ethyl 2-(2-cyano-3-(4-isopropylphenyl)acrylamido)-4-methylthiazole-5-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)-ethyl 2-(2-cyano-3-(4-isopropylphenyl)acrylamido)-4-methylthiazole-5-carboxylate?
The CAS number of (E)-ethyl 2-(2-cyano-3-(4-isopropylphenyl)acrylamido)-4-methylthiazole-5-carboxylate is 469872-52-4.
What is the molecular formula of (E)-ethyl 2-(2-cyano-3-(4-isopropylphenyl)acrylamido)-4-methylthiazole-5-carboxylate?
The molecular formula of (E)-ethyl 2-(2-cyano-3-(4-isopropylphenyl)acrylamido)-4-methylthiazole-5-carboxylate is C20H21N3O3S.
What is the molecular weight of (E)-ethyl 2-(2-cyano-3-(4-isopropylphenyl)acrylamido)-4-methylthiazole-5-carboxylate?
The molecular weight of (E)-ethyl 2-(2-cyano-3-(4-isopropylphenyl)acrylamido)-4-methylthiazole-5-carboxylate is 383.13 g/mol.
Where can I buy (E)-ethyl 2-(2-cyano-3-(4-isopropylphenyl)acrylamido)-4-methylthiazole-5-carboxylate?
You can request a quote for (E)-ethyl 2-(2-cyano-3-(4-isopropylphenyl)acrylamido)-4-methylthiazole-5-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-isopropylphenyl)acrylamido)-4-methylthiazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (E)-ethyl 2-(2-cyano-3-(4-isopropylphenyl)acrylamido)-4-methylthiazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.