(E)-ethyl 4-((3-carbamoyl-4,5-dimethylthiophen-2-yl)amino)-4-oxobut-2-enoate
TL;DR: (E)-ethyl 4-((3-carbamoyl-4,5-dimethylthiophen-2-yl)amino)-4-oxobut-2-enoate (CAS 314284-20-3) is a chemical compound with molecular formula C13H16N2O4S and molecular weight 296.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-4-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)amino]-4-oxobut-2-enoate
Also Known As: BIM-0042748.P001, F1443-5396, (E)-ethyl 4-((3-carbamoyl-4,5-dimethylthiophen-2-yl)amino)-4-oxobut-2-enoate, ETHYL (2E)-3-[(3-CARBAMOYL-4,5-DIMETHYLTHIOPHEN-2-YL)CARBAMOYL]PROP-2-ENOATE, ethyl (2E)-3-[N-(3-carbamoyl-4,5-dimethyl(2-thienyl))carbamoyl]prop-2-enoate
| Molecular Formula | C13H16N2O4S |
|---|---|
| Molecular Weight | 296.08 g/mol |
| LogP | 1.52164 |
| Topological Polar Surface Area | 98.49 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 296.08307 |
| Heavy Atoms | 20 |
| Complexity | 575.17145 |
Chemical Identifiers
| CAS Number | 314284-20-3 |
|---|---|
| SMILES | CCOC(=O)/C=C/C(=O)NC1=C(C(=C(S1)C)C)C(=O)N |
Product Overview
(E)-ethyl 4-((3-carbamoyl-4,5-dimethylthiophen-2-yl)amino)-4-oxobut-2-enoate (CAS 314284-20-3), with molecular formula C13H16N2O4S and molecular weight 296.08 g/mol. IUPAC: ethyl (E)-4-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)amino]-4-oxobut-2-enoate.
Chemical Property Profile of (E)-ethyl 4-((3-carbamoyl-4,5-dimethylthiophen-2-yl)amino)-4-oxobut-2-enoate
Property Insights of (E)-ethyl 4-((3-carbamoyl-4,5-dimethylthiophen-2-yl)amino)-4-oxobut-2-enoate
The XLogP value of 1.52164 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-ethyl 4-((3-carbamoyl-4,5-dimethylthiophen-2-yl)amino)-4-oxobut-2-enoate. The TPSA of 98.49 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-ethyl 4-((3-carbamoyl-4,5-dimethylthiophen-2-yl)amino)-4-oxobut-2-enoate. Following Lipinski's Rule of Five, (E)-ethyl 4-((3-carbamoyl-4,5-dimethylthiophen-2-yl)amino)-4-oxobut-2-enoate has 2 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 4-((3-carbamoyl-4,5-dimethylthiophen-2-yl)amino)-4-oxobut-2-enoate?
The CAS number of (E)-ethyl 4-((3-carbamoyl-4,5-dimethylthiophen-2-yl)amino)-4-oxobut-2-enoate is 314284-20-3.
What is the molecular formula of (E)-ethyl 4-((3-carbamoyl-4,5-dimethylthiophen-2-yl)amino)-4-oxobut-2-enoate?
The molecular formula of (E)-ethyl 4-((3-carbamoyl-4,5-dimethylthiophen-2-yl)amino)-4-oxobut-2-enoate is C13H16N2O4S.
What is the molecular weight of (E)-ethyl 4-((3-carbamoyl-4,5-dimethylthiophen-2-yl)amino)-4-oxobut-2-enoate?
The molecular weight of (E)-ethyl 4-((3-carbamoyl-4,5-dimethylthiophen-2-yl)amino)-4-oxobut-2-enoate is 296.08 g/mol.
Where can I buy (E)-ethyl 4-((3-carbamoyl-4,5-dimethylthiophen-2-yl)amino)-4-oxobut-2-enoate?
You can request a quote for (E)-ethyl 4-((3-carbamoyl-4,5-dimethylthiophen-2-yl)amino)-4-oxobut-2-enoate 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-((3-carbamoyl-4,5-dimethylthiophen-2-yl)amino)-4-oxobut-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-ethyl 4-((3-carbamoyl-4,5-dimethylthiophen-2-yl)amino)-4-oxobut-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.