![[2-Oxo-2-(4-phenylpiperazin-1-yl)ethyl] 5-nitrothiophene-2-carboxylate structure](/static/products/852/852709-00-3.png)
[2-Oxo-2-(4-phenylpiperazin-1-yl)ethyl] 5-nitrothiophene-2-carboxylate
TL;DR: [2-Oxo-2-(4-phenylpiperazin-1-yl)ethyl] 5-nitrothiophene-2-carboxylate (CAS 852709-00-3) is a chemical compound with molecular formula C17H17N3O5S and molecular weight 375.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 5-nitrothiophene-2-carboxylate
Also Known As: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 5-nitrothiophene-2-carboxylate|2-oxo-2-(4-phenylpiperazin-1-yl)ethyl 5-nitrothiophene-2-carboxylate|[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 5-nitrothiophene-2-carboxylate|5-nitro-2-thiophenecarboxylic acid [2-oxo-2-(4-phenyl-1-piperazinyl)ethyl] ester|5-nitrothiophene-2-carboxylic acid [2-keto-2-(4-phenylpiperazino)ethyl] ester|MLS002164979|SMR001247349|cid_4784326
| Molecular Formula | C17H17N3O5S |
|---|---|
| Molecular Weight | 375.09 g/mol |
| LogP | 2.1619 |
| Topological Polar Surface Area | 92.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 375.0889 |
| Heavy Atoms | 26 |
| Complexity | 799.7395 |
Chemical Identifiers
| CAS Number | 852709-00-3 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=CC=C2)C(=O)COC(=O)C3=CC=C(S3)[N+](=O)[O-] |
Product Overview
[2-Oxo-2-(4-phenylpiperazin-1-yl)ethyl] 5-nitrothiophene-2-carboxylate (CAS 852709-00-3), with molecular formula C17H17N3O5S and molecular weight 375.09 g/mol. IUPAC: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 5-nitrothiophene-2-carboxylate.
Chemical Property Profile of [2-Oxo-2-(4-phenylpiperazin-1-yl)ethyl] 5-nitrothiophene-2-carboxylate
Property Insights of [2-Oxo-2-(4-phenylpiperazin-1-yl)ethyl] 5-nitrothiophene-2-carboxylate
The XLogP value of 2.1619 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-Oxo-2-(4-phenylpiperazin-1-yl)ethyl] 5-nitrothiophene-2-carboxylate. The TPSA of 92.99 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-Oxo-2-(4-phenylpiperazin-1-yl)ethyl] 5-nitrothiophene-2-carboxylate. Following Lipinski's Rule of Five, [2-Oxo-2-(4-phenylpiperazin-1-yl)ethyl] 5-nitrothiophene-2-carboxylate has 0 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 [2-Oxo-2-(4-phenylpiperazin-1-yl)ethyl] 5-nitrothiophene-2-carboxylate?
The CAS number of [2-Oxo-2-(4-phenylpiperazin-1-yl)ethyl] 5-nitrothiophene-2-carboxylate is 852709-00-3.
What is the molecular formula of [2-Oxo-2-(4-phenylpiperazin-1-yl)ethyl] 5-nitrothiophene-2-carboxylate?
The molecular formula of [2-Oxo-2-(4-phenylpiperazin-1-yl)ethyl] 5-nitrothiophene-2-carboxylate is C17H17N3O5S.
What is the molecular weight of [2-Oxo-2-(4-phenylpiperazin-1-yl)ethyl] 5-nitrothiophene-2-carboxylate?
The molecular weight of [2-Oxo-2-(4-phenylpiperazin-1-yl)ethyl] 5-nitrothiophene-2-carboxylate is 375.09 g/mol.
Where can I buy [2-Oxo-2-(4-phenylpiperazin-1-yl)ethyl] 5-nitrothiophene-2-carboxylate?
You can request a quote for [2-Oxo-2-(4-phenylpiperazin-1-yl)ethyl] 5-nitrothiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-Oxo-2-(4-phenylpiperazin-1-yl)ethyl] 5-nitrothiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for [2-Oxo-2-(4-phenylpiperazin-1-yl)ethyl] 5-nitrothiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.