![ethyl 4-((4-((3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamoyl)phenyl)sulfonyl)piperazine-1-carboxylate structure](/static/products/3989/398998-82-8.webp)
ethyl 4-((4-((3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamoyl)phenyl)sulfonyl)piperazine-1-carboxylate
TL;DR: ethyl 4-((4-((3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamoyl)phenyl)sulfonyl)piperazine-1-carboxylate (CAS 398998-82-8) is a chemical compound with molecular formula C22H24N4O5S2 and molecular weight 488.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[4-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate
Also Known As: ethyl 4-((4-((3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamoyl)phenyl)sulfonyl)piperazine-1-carboxylate, ethyl 4-[4-({3-cyano-4H,5H,6H-cyclopenta[b]thiophen-2-yl}carbamoyl)benzenesulfonyl]piperazine-1-carboxylate, ethyl 4-[4-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate, ethyl 4-[(4-{[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thien-2-yl)amino]carbonyl}phenyl)sulfonyl]piperazine-1-carboxylate, 4-[4-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylic acid ethyl ester
| Molecular Formula | C22H24N4O5S2 |
|---|---|
| Molecular Weight | 488.12 g/mol |
| LogP | 2.82358 |
| Topological Polar Surface Area | 119.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 488.1188 |
| Heavy Atoms | 33 |
| Complexity | 1206.6462 |
Chemical Identifiers
| CAS Number | 398998-82-8 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C4=C(S3)CCC4)C#N |
Product Overview
ethyl 4-((4-((3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamoyl)phenyl)sulfonyl)piperazine-1-carboxylate (CAS 398998-82-8), with molecular formula C22H24N4O5S2 and molecular weight 488.12 g/mol. IUPAC: ethyl 4-[4-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate.
Chemical Property Profile of ethyl 4-((4-((3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamoyl)phenyl)sulfonyl)piperazine-1-carboxylate
Property Insights of ethyl 4-((4-((3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamoyl)phenyl)sulfonyl)piperazine-1-carboxylate
The XLogP value of 2.82358 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-((4-((3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamoyl)phenyl)sulfonyl)piperazine-1-carboxylate. The TPSA of 119.81 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-((4-((3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamoyl)phenyl)sulfonyl)piperazine-1-carboxylate. Following Lipinski's Rule of Five, ethyl 4-((4-((3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamoyl)phenyl)sulfonyl)piperazine-1-carboxylate has 1 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 ethyl 4-((4-((3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamoyl)phenyl)sulfonyl)piperazine-1-carboxylate?
The CAS number of ethyl 4-((4-((3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamoyl)phenyl)sulfonyl)piperazine-1-carboxylate is 398998-82-8.
What is the molecular formula of ethyl 4-((4-((3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamoyl)phenyl)sulfonyl)piperazine-1-carboxylate?
The molecular formula of ethyl 4-((4-((3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamoyl)phenyl)sulfonyl)piperazine-1-carboxylate is C22H24N4O5S2.
What is the molecular weight of ethyl 4-((4-((3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamoyl)phenyl)sulfonyl)piperazine-1-carboxylate?
The molecular weight of ethyl 4-((4-((3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamoyl)phenyl)sulfonyl)piperazine-1-carboxylate is 488.12 g/mol.
Where can I buy ethyl 4-((4-((3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamoyl)phenyl)sulfonyl)piperazine-1-carboxylate?
You can request a quote for ethyl 4-((4-((3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamoyl)phenyl)sulfonyl)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-((4-((3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamoyl)phenyl)sulfonyl)piperazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-((4-((3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamoyl)phenyl)sulfonyl)piperazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.