(E)-ethyl 4-methyl-2-(3-(5-nitrothiophen-2-yl)acrylamido)thiazole-5-carboxylate
TL;DR: (E)-ethyl 4-methyl-2-(3-(5-nitrothiophen-2-yl)acrylamido)thiazole-5-carboxylate (CAS 476319-80-9) is a chemical compound with molecular formula C14H13N3O5S2 and molecular weight 367.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-methyl-2-[[(E)-3-(5-nitrothiophen-2-yl)prop-2-enoyl]amino]-1,3-thiazole-5-carboxylate
Also Known As: F0463-0193, (E)-ethyl 4-methyl-2-(3-(5-nitrothiophen-2-yl)acrylamido)thiazole-5-carboxylate, ethyl 4-methyl-2-[(2E)-3-(5-nitrothiophen-2-yl)prop-2-enamido]-1,3-thiazole-5-carboxylate, ethyl 4-methyl-2-[[(E)-3-(5-nitrothiophen-2-yl)prop-2-enoyl]amino]-1,3-thiazole-5-carboxylate, ethyl 4-methyl-2-[(E)-2-(5-nitro-2-thienyl)ethenylcarbonylamino]-1,3-thiazole-5-carboxylate
| Molecular Formula | C14H13N3O5S2 |
|---|---|
| Molecular Weight | 367.03 g/mol |
| LogP | 3.24982 |
| Topological Polar Surface Area | 111.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 367.02966 |
| Heavy Atoms | 24 |
| Complexity | 809.19196 |
Chemical Identifiers
| CAS Number | 476319-80-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(S1)NC(=O)/C=C/C2=CC=C(S2)[N+](=O)[O-])C |
Product Overview
(E)-ethyl 4-methyl-2-(3-(5-nitrothiophen-2-yl)acrylamido)thiazole-5-carboxylate (CAS 476319-80-9), with molecular formula C14H13N3O5S2 and molecular weight 367.03 g/mol. IUPAC: ethyl 4-methyl-2-[[(E)-3-(5-nitrothiophen-2-yl)prop-2-enoyl]amino]-1,3-thiazole-5-carboxylate.
Chemical Property Profile of (E)-ethyl 4-methyl-2-(3-(5-nitrothiophen-2-yl)acrylamido)thiazole-5-carboxylate
Property Insights of (E)-ethyl 4-methyl-2-(3-(5-nitrothiophen-2-yl)acrylamido)thiazole-5-carboxylate
The XLogP value of 3.24982 indicates that (E)-ethyl 4-methyl-2-(3-(5-nitrothiophen-2-yl)acrylamido)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 (E)-ethyl 4-methyl-2-(3-(5-nitrothiophen-2-yl)acrylamido)thiazole-5-carboxylate. Following Lipinski's Rule of Five, (E)-ethyl 4-methyl-2-(3-(5-nitrothiophen-2-yl)acrylamido)thiazole-5-carboxylate has 1 hydrogen bond donor(s) and 8 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 4-methyl-2-(3-(5-nitrothiophen-2-yl)acrylamido)thiazole-5-carboxylate?
The CAS number of (E)-ethyl 4-methyl-2-(3-(5-nitrothiophen-2-yl)acrylamido)thiazole-5-carboxylate is 476319-80-9.
What is the molecular formula of (E)-ethyl 4-methyl-2-(3-(5-nitrothiophen-2-yl)acrylamido)thiazole-5-carboxylate?
The molecular formula of (E)-ethyl 4-methyl-2-(3-(5-nitrothiophen-2-yl)acrylamido)thiazole-5-carboxylate is C14H13N3O5S2.
What is the molecular weight of (E)-ethyl 4-methyl-2-(3-(5-nitrothiophen-2-yl)acrylamido)thiazole-5-carboxylate?
The molecular weight of (E)-ethyl 4-methyl-2-(3-(5-nitrothiophen-2-yl)acrylamido)thiazole-5-carboxylate is 367.03 g/mol.
Where can I buy (E)-ethyl 4-methyl-2-(3-(5-nitrothiophen-2-yl)acrylamido)thiazole-5-carboxylate?
You can request a quote for (E)-ethyl 4-methyl-2-(3-(5-nitrothiophen-2-yl)acrylamido)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 (E)-ethyl 4-methyl-2-(3-(5-nitrothiophen-2-yl)acrylamido)thiazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (E)-ethyl 4-methyl-2-(3-(5-nitrothiophen-2-yl)acrylamido)thiazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.