![ethyl 2-{[(2E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino}-4-methyl-1,3-thiazole-5-carboxylate structure](/static/products/4339/433972-71-5.webp)
ethyl 2-{[(2E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino}-4-methyl-1,3-thiazole-5-carboxylate
TL;DR: ethyl 2-{[(2E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino}-4-methyl-1,3-thiazole-5-carboxylate (CAS 433972-71-5) is a chemical compound with molecular formula C16H14ClN3O5S and molecular weight 395.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[(E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: ethyl 2-{[(2E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino}-4-methyl-1,3-thiazole-5-carboxylate, (E)-ethyl 2-(3-(4-chloro-3-nitrophenyl)acrylamido)-4-methylthiazole-5-carboxylate, ethyl 2-[[(E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
| Molecular Formula | C16H14ClN3O5S |
|---|---|
| Molecular Weight | 395.03 g/mol |
| LogP | 3.84172 |
| Topological Polar Surface Area | 111.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 395.03427 |
| Heavy Atoms | 26 |
| Complexity | 894.00555 |
Chemical Identifiers
| CAS Number | 433972-71-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(S1)NC(=O)/C=C/C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C |
Product Overview
ethyl 2-{[(2E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino}-4-methyl-1,3-thiazole-5-carboxylate (CAS 433972-71-5), with molecular formula C16H14ClN3O5S and molecular weight 395.03 g/mol. IUPAC: ethyl 2-[[(E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of ethyl 2-{[(2E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino}-4-methyl-1,3-thiazole-5-carboxylate
Property Insights of ethyl 2-{[(2E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino}-4-methyl-1,3-thiazole-5-carboxylate
The XLogP value of 3.84172 indicates that ethyl 2-{[(2E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino}-4-methyl-1,3-thiazole-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.43 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-{[(2E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino}-4-methyl-1,3-thiazole-5-carboxylate. Following Lipinski's Rule of Five, ethyl 2-{[(2E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino}-4-methyl-1,3-thiazole-5-carboxylate has 1 hydrogen bond donor(s) and 7 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 ethyl 2-{[(2E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino}-4-methyl-1,3-thiazole-5-carboxylate?
The CAS number of ethyl 2-{[(2E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino}-4-methyl-1,3-thiazole-5-carboxylate is 433972-71-5.
What is the molecular formula of ethyl 2-{[(2E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino}-4-methyl-1,3-thiazole-5-carboxylate?
The molecular formula of ethyl 2-{[(2E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino}-4-methyl-1,3-thiazole-5-carboxylate is C16H14ClN3O5S.
What is the molecular weight of ethyl 2-{[(2E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino}-4-methyl-1,3-thiazole-5-carboxylate?
The molecular weight of ethyl 2-{[(2E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino}-4-methyl-1,3-thiazole-5-carboxylate is 395.03 g/mol.
Where can I buy ethyl 2-{[(2E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino}-4-methyl-1,3-thiazole-5-carboxylate?
You can request a quote for ethyl 2-{[(2E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino}-4-methyl-1,3-thiazole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-{[(2E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino}-4-methyl-1,3-thiazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-{[(2E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino}-4-methyl-1,3-thiazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.