![2-(4-Ethyl-piperazin-1-yl)-3-(4-methoxy-phenyl)-3,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulen -4-one structure](/static/products/896/896828-73-2.png)
2-(4-Ethyl-piperazin-1-yl)-3-(4-methoxy-phenyl)-3,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulen -4-one
TL;DR: 2-(4-Ethyl-piperazin-1-yl)-3-(4-methoxy-phenyl)-3,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulen -4-one (CAS 896828-73-2) is a chemical compound with molecular formula C24H30N4O2S and molecular weight 438.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-ethylpiperazin-1-yl)-4-(4-methoxyphenyl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one
Also Known As: 2-(4-Ethyl-piperazin-1-yl)-3-(4-methoxy-phenyl)-3,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulen -4-one, 2-(4-ethylpiperazin-1-yl)-3-(4-methoxyphenyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one, 2-(4-ethylpiperazin-1-yl)-3-(4-methoxyphenyl)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one
| Molecular Formula | C24H30N4O2S |
|---|---|
| Molecular Weight | 438.21 g/mol |
| LogP | 3.8666 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 438.20895 |
| Heavy Atoms | 31 |
| Complexity | 1127.1722 |
Chemical Identifiers
| CAS Number | 896828-73-2 |
|---|---|
| SMILES | CCN1CCN(CC1)C2=NC3=C(C4=C(S3)CCCCC4)C(=O)N2C5=CC=C(C=C5)OC |
Product Overview
2-(4-Ethyl-piperazin-1-yl)-3-(4-methoxy-phenyl)-3,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulen -4-one (CAS 896828-73-2), with molecular formula C24H30N4O2S and molecular weight 438.21 g/mol. IUPAC: 5-(4-ethylpiperazin-1-yl)-4-(4-methoxyphenyl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one.
Chemical Property Profile of 2-(4-Ethyl-piperazin-1-yl)-3-(4-methoxy-phenyl)-3,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulen -4-one
Property Insights of 2-(4-Ethyl-piperazin-1-yl)-3-(4-methoxy-phenyl)-3,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulen -4-one
The XLogP value of 3.8666 indicates that 2-(4-Ethyl-piperazin-1-yl)-3-(4-methoxy-phenyl)-3,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulen -4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.6 Ų, 2-(4-Ethyl-piperazin-1-yl)-3-(4-methoxy-phenyl)-3,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulen -4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Ethyl-piperazin-1-yl)-3-(4-methoxy-phenyl)-3,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulen -4-one 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 2-(4-Ethyl-piperazin-1-yl)-3-(4-methoxy-phenyl)-3,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulen -4-one?
The CAS number of 2-(4-Ethyl-piperazin-1-yl)-3-(4-methoxy-phenyl)-3,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulen -4-one is 896828-73-2.
What is the molecular formula of 2-(4-Ethyl-piperazin-1-yl)-3-(4-methoxy-phenyl)-3,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulen -4-one?
The molecular formula of 2-(4-Ethyl-piperazin-1-yl)-3-(4-methoxy-phenyl)-3,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulen -4-one is C24H30N4O2S.
What is the molecular weight of 2-(4-Ethyl-piperazin-1-yl)-3-(4-methoxy-phenyl)-3,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulen -4-one?
The molecular weight of 2-(4-Ethyl-piperazin-1-yl)-3-(4-methoxy-phenyl)-3,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulen -4-one is 438.21 g/mol.
Where can I buy 2-(4-Ethyl-piperazin-1-yl)-3-(4-methoxy-phenyl)-3,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulen -4-one?
You can request a quote for 2-(4-Ethyl-piperazin-1-yl)-3-(4-methoxy-phenyl)-3,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulen -4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Ethyl-piperazin-1-yl)-3-(4-methoxy-phenyl)-3,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulen -4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Ethyl-piperazin-1-yl)-3-(4-methoxy-phenyl)-3,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulen -4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.