![ethyl 4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]piperazine-1-carboxylate structure](/static/products/903/903188-85-2.png)
ethyl 4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]piperazine-1-carboxylate
TL;DR: ethyl 4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]piperazine-1-carboxylate (CAS 903188-85-2) is a chemical compound with molecular formula C17H22N4O3S and molecular weight 362.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]piperazine-1-carboxylate
Also Known As: ethyl 4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]piperazine-1-carboxylate, ethyl 4-((3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamoyl)piperazine-1-carboxylate
| Molecular Formula | C17H22N4O3S |
|---|---|
| Molecular Weight | 362.14 g/mol |
| LogP | 2.80458 |
| Topological Polar Surface Area | 85.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 362.14127 |
| Heavy Atoms | 25 |
| Complexity | 701.4815 |
Chemical Identifiers
| CAS Number | 903188-85-2 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C(=O)NC2=C(C3=C(S2)CCCC3)C#N |
Product Overview
ethyl 4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]piperazine-1-carboxylate (CAS 903188-85-2), with molecular formula C17H22N4O3S and molecular weight 362.14 g/mol. IUPAC: ethyl 4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]piperazine-1-carboxylate.
Chemical Property Profile of ethyl 4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]piperazine-1-carboxylate
Property Insights of ethyl 4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]piperazine-1-carboxylate
The XLogP value of 2.80458 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]piperazine-1-carboxylate. The TPSA of 85.67 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]piperazine-1-carboxylate. Following Lipinski's Rule of Five, ethyl 4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]piperazine-1-carboxylate has 1 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 ethyl 4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]piperazine-1-carboxylate?
The CAS number of ethyl 4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]piperazine-1-carboxylate is 903188-85-2.
What is the molecular formula of ethyl 4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]piperazine-1-carboxylate?
The molecular formula of ethyl 4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]piperazine-1-carboxylate is C17H22N4O3S.
What is the molecular weight of ethyl 4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]piperazine-1-carboxylate?
The molecular weight of ethyl 4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]piperazine-1-carboxylate is 362.14 g/mol.
Where can I buy ethyl 4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]piperazine-1-carboxylate?
You can request a quote for ethyl 4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]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-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]piperazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]piperazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.