Ethyl 4-(5-nitro-1-benzothiophene-2-carbonyl)piperazine-1-carboxylate
TL;DR: Ethyl 4-(5-nitro-1-benzothiophene-2-carbonyl)piperazine-1-carboxylate (CAS 380175-70-2) is a chemical compound with molecular formula C16H17N3O5S and molecular weight 363.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(5-nitro-1-benzothiophene-2-carbonyl)piperazine-1-carboxylate
Also Known As: AB00684318-01, F0447-0056, ethyl 4-(5-nitro-1-benzothiophene-2-carbonyl)piperazine-1-carboxylate, ethyl 4-(5-nitrobenzo[b]thiophene-2-carbonyl)piperazine-1-carboxylate, ethyl 4-[(5-nitro-1-benzothiophen-2-yl)carbonyl]-1-piperazinecarboxylate
| Molecular Formula | C16H17N3O5S |
|---|---|
| Molecular Weight | 363.09 g/mol |
| LogP | 2.7238 |
| Topological Polar Surface Area | 92.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 363.0889 |
| Heavy Atoms | 25 |
| Complexity | 826.28455 |
Chemical Identifiers
| CAS Number | 380175-70-2 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-] |
Product Overview
Ethyl 4-(5-nitro-1-benzothiophene-2-carbonyl)piperazine-1-carboxylate (CAS 380175-70-2), with molecular formula C16H17N3O5S and molecular weight 363.09 g/mol. IUPAC: ethyl 4-(5-nitro-1-benzothiophene-2-carbonyl)piperazine-1-carboxylate.
Chemical Property Profile of Ethyl 4-(5-nitro-1-benzothiophene-2-carbonyl)piperazine-1-carboxylate
Property Insights of Ethyl 4-(5-nitro-1-benzothiophene-2-carbonyl)piperazine-1-carboxylate
The XLogP value of 2.7238 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(5-nitro-1-benzothiophene-2-carbonyl)piperazine-1-carboxylate. The TPSA of 92.99 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(5-nitro-1-benzothiophene-2-carbonyl)piperazine-1-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-(5-nitro-1-benzothiophene-2-carbonyl)piperazine-1-carboxylate has 0 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 4-(5-nitro-1-benzothiophene-2-carbonyl)piperazine-1-carboxylate?
The CAS number of Ethyl 4-(5-nitro-1-benzothiophene-2-carbonyl)piperazine-1-carboxylate is 380175-70-2.
What is the molecular formula of Ethyl 4-(5-nitro-1-benzothiophene-2-carbonyl)piperazine-1-carboxylate?
The molecular formula of Ethyl 4-(5-nitro-1-benzothiophene-2-carbonyl)piperazine-1-carboxylate is C16H17N3O5S.
What is the molecular weight of Ethyl 4-(5-nitro-1-benzothiophene-2-carbonyl)piperazine-1-carboxylate?
The molecular weight of Ethyl 4-(5-nitro-1-benzothiophene-2-carbonyl)piperazine-1-carboxylate is 363.09 g/mol.
Where can I buy Ethyl 4-(5-nitro-1-benzothiophene-2-carbonyl)piperazine-1-carboxylate?
You can request a quote for Ethyl 4-(5-nitro-1-benzothiophene-2-carbonyl)piperazine-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-(5-nitro-1-benzothiophene-2-carbonyl)piperazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(5-nitro-1-benzothiophene-2-carbonyl)piperazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.