![ethyl 2-({[4-(2-furylcarbonyl)piperazinyl]thioxomethyl}amino)-4,5,6,7,8,9-hexa hydrocycloocta[2,1-b]thiophene-3-carboxylate structure](/static/products/7019/701953-87-9.webp)
ethyl 2-({[4-(2-furylcarbonyl)piperazinyl]thioxomethyl}amino)-4,5,6,7,8,9-hexa hydrocycloocta[2,1-b]thiophene-3-carboxylate
TL;DR: ethyl 2-({[4-(2-furylcarbonyl)piperazinyl]thioxomethyl}amino)-4,5,6,7,8,9-hexa hydrocycloocta[2,1-b]thiophene-3-carboxylate (CAS 701953-87-9) is a chemical compound with molecular formula C23H29N3O4S2 and molecular weight 475.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[4-(furan-2-carbonyl)piperazine-1-carbothioyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Also Known As: ethyl 2-({[4-(2-furylcarbonyl)piperazinyl]thioxomethyl}amino)-4,5,6,7,8,9-hexa hydrocycloocta[2,1-b]thiophene-3-carboxylate, ethyl 2-({[4-(furan-2-ylcarbonyl)piperazin-1-yl]carbonothioyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate, ethyl 2-(4-(furan-2-carbonyl)piperazine-1-carbothioamido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate, ethyl 2-[[4-(furan-2-carbonyl)piperazine-1-carbothioyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
| Molecular Formula | C23H29N3O4S2 |
|---|---|
| Molecular Weight | 475.16 g/mol |
| LogP | 4.3316 |
| Topological Polar Surface Area | 75.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 475.15994 |
| Heavy Atoms | 32 |
| Complexity | 962.2998 |
Chemical Identifiers
| CAS Number | 701953-87-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCCCC2)NC(=S)N3CCN(CC3)C(=O)C4=CC=CO4 |
Product Overview
ethyl 2-({[4-(2-furylcarbonyl)piperazinyl]thioxomethyl}amino)-4,5,6,7,8,9-hexa hydrocycloocta[2,1-b]thiophene-3-carboxylate (CAS 701953-87-9), with molecular formula C23H29N3O4S2 and molecular weight 475.16 g/mol. IUPAC: ethyl 2-[[4-(furan-2-carbonyl)piperazine-1-carbothioyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-({[4-(2-furylcarbonyl)piperazinyl]thioxomethyl}amino)-4,5,6,7,8,9-hexa hydrocycloocta[2,1-b]thiophene-3-carboxylate
Property Insights of ethyl 2-({[4-(2-furylcarbonyl)piperazinyl]thioxomethyl}amino)-4,5,6,7,8,9-hexa hydrocycloocta[2,1-b]thiophene-3-carboxylate
The XLogP value of 4.3316 indicates that ethyl 2-({[4-(2-furylcarbonyl)piperazinyl]thioxomethyl}amino)-4,5,6,7,8,9-hexa hydrocycloocta[2,1-b]thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.02 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-({[4-(2-furylcarbonyl)piperazinyl]thioxomethyl}amino)-4,5,6,7,8,9-hexa hydrocycloocta[2,1-b]thiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-({[4-(2-furylcarbonyl)piperazinyl]thioxomethyl}amino)-4,5,6,7,8,9-hexa hydrocycloocta[2,1-b]thiophene-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-({[4-(2-furylcarbonyl)piperazinyl]thioxomethyl}amino)-4,5,6,7,8,9-hexa hydrocycloocta[2,1-b]thiophene-3-carboxylate?
The CAS number of ethyl 2-({[4-(2-furylcarbonyl)piperazinyl]thioxomethyl}amino)-4,5,6,7,8,9-hexa hydrocycloocta[2,1-b]thiophene-3-carboxylate is 701953-87-9.
What is the molecular formula of ethyl 2-({[4-(2-furylcarbonyl)piperazinyl]thioxomethyl}amino)-4,5,6,7,8,9-hexa hydrocycloocta[2,1-b]thiophene-3-carboxylate?
The molecular formula of ethyl 2-({[4-(2-furylcarbonyl)piperazinyl]thioxomethyl}amino)-4,5,6,7,8,9-hexa hydrocycloocta[2,1-b]thiophene-3-carboxylate is C23H29N3O4S2.
What is the molecular weight of ethyl 2-({[4-(2-furylcarbonyl)piperazinyl]thioxomethyl}amino)-4,5,6,7,8,9-hexa hydrocycloocta[2,1-b]thiophene-3-carboxylate?
The molecular weight of ethyl 2-({[4-(2-furylcarbonyl)piperazinyl]thioxomethyl}amino)-4,5,6,7,8,9-hexa hydrocycloocta[2,1-b]thiophene-3-carboxylate is 475.16 g/mol.
Where can I buy ethyl 2-({[4-(2-furylcarbonyl)piperazinyl]thioxomethyl}amino)-4,5,6,7,8,9-hexa hydrocycloocta[2,1-b]thiophene-3-carboxylate?
You can request a quote for ethyl 2-({[4-(2-furylcarbonyl)piperazinyl]thioxomethyl}amino)-4,5,6,7,8,9-hexa hydrocycloocta[2,1-b]thiophene-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-({[4-(2-furylcarbonyl)piperazinyl]thioxomethyl}amino)-4,5,6,7,8,9-hexa hydrocycloocta[2,1-b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-({[4-(2-furylcarbonyl)piperazinyl]thioxomethyl}amino)-4,5,6,7,8,9-hexa hydrocycloocta[2,1-b]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.