Ethyl 2-(2-(4-ethylpiperazin-1-yl)acetamido)-4,5-dimethylthiophene-3-carboxylate
TL;DR: Ethyl 2-(2-(4-ethylpiperazin-1-yl)acetamido)-4,5-dimethylthiophene-3-carboxylate (CAS 455896-33-0) is a chemical compound with molecular formula C17H27N3O3S and molecular weight 353.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
Also Known As: VU0608716-1, F3284-2929, AS-871/41147929, ethyl 2-(2-(4-ethylpiperazin-1-yl)acetamido)-4,5-dimethylthiophene-3-carboxylate, ethyl 2-[2-(4-ethylpiperazin-1-yl)acetamido]-4,5-dimethylthiophene-3-carboxylate
| Molecular Formula | C17H27N3O3S |
|---|---|
| Molecular Weight | 353.18 g/mol |
| LogP | 2.11764 |
| Topological Polar Surface Area | 61.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 353.1773 |
| Heavy Atoms | 24 |
| Complexity | 592.1464 |
Chemical Identifiers
| CAS Number | 455896-33-0 |
|---|---|
| SMILES | CCN1CCN(CC1)CC(=O)NC2=C(C(=C(S2)C)C)C(=O)OCC |
Product Overview
Ethyl 2-(2-(4-ethylpiperazin-1-yl)acetamido)-4,5-dimethylthiophene-3-carboxylate (CAS 455896-33-0), with molecular formula C17H27N3O3S and molecular weight 353.18 g/mol. IUPAC: ethyl 2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate.
Chemical Property Profile of Ethyl 2-(2-(4-ethylpiperazin-1-yl)acetamido)-4,5-dimethylthiophene-3-carboxylate
Property Insights of Ethyl 2-(2-(4-ethylpiperazin-1-yl)acetamido)-4,5-dimethylthiophene-3-carboxylate
The XLogP value of 2.11764 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(2-(4-ethylpiperazin-1-yl)acetamido)-4,5-dimethylthiophene-3-carboxylate. The TPSA of 61.88 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(2-(4-ethylpiperazin-1-yl)acetamido)-4,5-dimethylthiophene-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-(2-(4-ethylpiperazin-1-yl)acetamido)-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 Ethyl 2-(2-(4-ethylpiperazin-1-yl)acetamido)-4,5-dimethylthiophene-3-carboxylate?
The CAS number of Ethyl 2-(2-(4-ethylpiperazin-1-yl)acetamido)-4,5-dimethylthiophene-3-carboxylate is 455896-33-0.
What is the molecular formula of Ethyl 2-(2-(4-ethylpiperazin-1-yl)acetamido)-4,5-dimethylthiophene-3-carboxylate?
The molecular formula of Ethyl 2-(2-(4-ethylpiperazin-1-yl)acetamido)-4,5-dimethylthiophene-3-carboxylate is C17H27N3O3S.
What is the molecular weight of Ethyl 2-(2-(4-ethylpiperazin-1-yl)acetamido)-4,5-dimethylthiophene-3-carboxylate?
The molecular weight of Ethyl 2-(2-(4-ethylpiperazin-1-yl)acetamido)-4,5-dimethylthiophene-3-carboxylate is 353.18 g/mol.
Where can I buy Ethyl 2-(2-(4-ethylpiperazin-1-yl)acetamido)-4,5-dimethylthiophene-3-carboxylate?
You can request a quote for Ethyl 2-(2-(4-ethylpiperazin-1-yl)acetamido)-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 Ethyl 2-(2-(4-ethylpiperazin-1-yl)acetamido)-4,5-dimethylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(2-(4-ethylpiperazin-1-yl)acetamido)-4,5-dimethylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.