![methyl 2-(2-(4-ethylpiperazin-1-yl)acetamido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate structure](/static/products/896/896220-52-3.png)
methyl 2-(2-(4-ethylpiperazin-1-yl)acetamido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
TL;DR: methyl 2-(2-(4-ethylpiperazin-1-yl)acetamido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate (CAS 896220-52-3) is a chemical compound with molecular formula C20H31N3O3S and molecular weight 393.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Also Known As: methyl 2-(2-(4-ethylpiperazin-1-yl)acetamido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate, methyl 2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate, methyl 2-[2-(4-ethylpiperazinyl)acetylamino]-4,5,6,7,8,9-hexahydrocycloocta[2, 1-b]thiophene-3-carboxylate, methyl 2-{[(4-ethylpiperazin-1-yl)acetyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
| Molecular Formula | C20H31N3O3S |
|---|---|
| Molecular Weight | 393.21 g/mol |
| LogP | 2.7697 |
| Topological Polar Surface Area | 61.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 393.20862 |
| Heavy Atoms | 27 |
| Complexity | 665.6744 |
Chemical Identifiers
| CAS Number | 896220-52-3 |
|---|---|
| SMILES | CCN1CCN(CC1)CC(=O)NC2=C(C3=C(S2)CCCCCC3)C(=O)OC |
Product Overview
methyl 2-(2-(4-ethylpiperazin-1-yl)acetamido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate (CAS 896220-52-3), with molecular formula C20H31N3O3S and molecular weight 393.21 g/mol. IUPAC: methyl 2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate.
Chemical Property Profile of methyl 2-(2-(4-ethylpiperazin-1-yl)acetamido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Property Insights of methyl 2-(2-(4-ethylpiperazin-1-yl)acetamido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
The XLogP value of 2.7697 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-(2-(4-ethylpiperazin-1-yl)acetamido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate. The TPSA of 61.88 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(2-(4-ethylpiperazin-1-yl)acetamido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 2-(2-(4-ethylpiperazin-1-yl)acetamido)-4,5,6,7,8,9-hexahydrocycloocta[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 methyl 2-(2-(4-ethylpiperazin-1-yl)acetamido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate?
The CAS number of methyl 2-(2-(4-ethylpiperazin-1-yl)acetamido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate is 896220-52-3.
What is the molecular formula of methyl 2-(2-(4-ethylpiperazin-1-yl)acetamido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate?
The molecular formula of methyl 2-(2-(4-ethylpiperazin-1-yl)acetamido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate is C20H31N3O3S.
What is the molecular weight of methyl 2-(2-(4-ethylpiperazin-1-yl)acetamido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate?
The molecular weight of methyl 2-(2-(4-ethylpiperazin-1-yl)acetamido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate is 393.21 g/mol.
Where can I buy methyl 2-(2-(4-ethylpiperazin-1-yl)acetamido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate?
You can request a quote for methyl 2-(2-(4-ethylpiperazin-1-yl)acetamido)-4,5,6,7,8,9-hexahydrocycloocta[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 methyl 2-(2-(4-ethylpiperazin-1-yl)acetamido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(2-(4-ethylpiperazin-1-yl)acetamido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.