![8-(4-Ethyl-piperazin-1-yl)-2,2-dimethyl-5-pyrrolidin-1-yl-1,4-dihydro-2H-3-oxa-7-thia-6,9,11-triaza-benzo [c]fluorene structure](/static/products/846/846594-28-3.png)
8-(4-Ethyl-piperazin-1-yl)-2,2-dimethyl-5-pyrrolidin-1-yl-1,4-dihydro-2H-3-oxa-7-thia-6,9,11-triaza-benzo [c]fluorene
TL;DR: 8-(4-Ethyl-piperazin-1-yl)-2,2-dimethyl-5-pyrrolidin-1-yl-1,4-dihydro-2H-3-oxa-7-thia-6,9,11-triaza-benzo [c]fluorene (CAS 846594-28-3) is a chemical compound with molecular formula C24H32N6OS and molecular weight 452.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-(4-ethylpiperazin-1-yl)-4,4-dimethyl-8-pyrrolidin-1-yl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaene
Also Known As: 8-(4-Ethyl-piperazin-1-yl)-2,2-dimethyl-5-pyrrolidin-1-yl-1,4-dihydro-2H-3-oxa-7-thia-6,9,11-triaza-benzo [c]fluorene, 8-(4-ethylpiperazin-1-yl)-2,2-dimethyl-5-(pyrrolidin-1-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine, 8-(4-ethylpiperazin-1-yl)-2,2-dimethyl-5-(pyrrolidin-1-yl)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
| Molecular Formula | C24H32N6OS |
|---|---|
| Molecular Weight | 452.24 g/mol |
| LogP | 3.8329 |
| Topological Polar Surface Area | 57.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 452.23584 |
| Heavy Atoms | 32 |
| Complexity | 1160.4563 |
Chemical Identifiers
| CAS Number | 846594-28-3 |
|---|---|
| SMILES | CCN1CCN(CC1)C2=NC=NC3=C2SC4=C3C5=C(COC(C5)(C)C)C(=N4)N6CCCC6 |
Product Overview
8-(4-Ethyl-piperazin-1-yl)-2,2-dimethyl-5-pyrrolidin-1-yl-1,4-dihydro-2H-3-oxa-7-thia-6,9,11-triaza-benzo [c]fluorene (CAS 846594-28-3), with molecular formula C24H32N6OS and molecular weight 452.24 g/mol. IUPAC: 13-(4-ethylpiperazin-1-yl)-4,4-dimethyl-8-pyrrolidin-1-yl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaene.
Chemical Property Profile of 8-(4-Ethyl-piperazin-1-yl)-2,2-dimethyl-5-pyrrolidin-1-yl-1,4-dihydro-2H-3-oxa-7-thia-6,9,11-triaza-benzo [c]fluorene
Property Insights of 8-(4-Ethyl-piperazin-1-yl)-2,2-dimethyl-5-pyrrolidin-1-yl-1,4-dihydro-2H-3-oxa-7-thia-6,9,11-triaza-benzo [c]fluorene
The XLogP value of 3.8329 indicates that 8-(4-Ethyl-piperazin-1-yl)-2,2-dimethyl-5-pyrrolidin-1-yl-1,4-dihydro-2H-3-oxa-7-thia-6,9,11-triaza-benzo [c]fluorene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.62 Ų, 8-(4-Ethyl-piperazin-1-yl)-2,2-dimethyl-5-pyrrolidin-1-yl-1,4-dihydro-2H-3-oxa-7-thia-6,9,11-triaza-benzo [c]fluorene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-(4-Ethyl-piperazin-1-yl)-2,2-dimethyl-5-pyrrolidin-1-yl-1,4-dihydro-2H-3-oxa-7-thia-6,9,11-triaza-benzo [c]fluorene has 0 hydrogen bond donor(s) and 8 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 8-(4-Ethyl-piperazin-1-yl)-2,2-dimethyl-5-pyrrolidin-1-yl-1,4-dihydro-2H-3-oxa-7-thia-6,9,11-triaza-benzo [c]fluorene?
The CAS number of 8-(4-Ethyl-piperazin-1-yl)-2,2-dimethyl-5-pyrrolidin-1-yl-1,4-dihydro-2H-3-oxa-7-thia-6,9,11-triaza-benzo [c]fluorene is 846594-28-3.
What is the molecular formula of 8-(4-Ethyl-piperazin-1-yl)-2,2-dimethyl-5-pyrrolidin-1-yl-1,4-dihydro-2H-3-oxa-7-thia-6,9,11-triaza-benzo [c]fluorene?
The molecular formula of 8-(4-Ethyl-piperazin-1-yl)-2,2-dimethyl-5-pyrrolidin-1-yl-1,4-dihydro-2H-3-oxa-7-thia-6,9,11-triaza-benzo [c]fluorene is C24H32N6OS.
What is the molecular weight of 8-(4-Ethyl-piperazin-1-yl)-2,2-dimethyl-5-pyrrolidin-1-yl-1,4-dihydro-2H-3-oxa-7-thia-6,9,11-triaza-benzo [c]fluorene?
The molecular weight of 8-(4-Ethyl-piperazin-1-yl)-2,2-dimethyl-5-pyrrolidin-1-yl-1,4-dihydro-2H-3-oxa-7-thia-6,9,11-triaza-benzo [c]fluorene is 452.24 g/mol.
Where can I buy 8-(4-Ethyl-piperazin-1-yl)-2,2-dimethyl-5-pyrrolidin-1-yl-1,4-dihydro-2H-3-oxa-7-thia-6,9,11-triaza-benzo [c]fluorene?
You can request a quote for 8-(4-Ethyl-piperazin-1-yl)-2,2-dimethyl-5-pyrrolidin-1-yl-1,4-dihydro-2H-3-oxa-7-thia-6,9,11-triaza-benzo [c]fluorene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-(4-Ethyl-piperazin-1-yl)-2,2-dimethyl-5-pyrrolidin-1-yl-1,4-dihydro-2H-3-oxa-7-thia-6,9,11-triaza-benzo [c]fluorene?
Yes, KEHONG BIO provides custom synthesis services for 8-(4-Ethyl-piperazin-1-yl)-2,2-dimethyl-5-pyrrolidin-1-yl-1,4-dihydro-2H-3-oxa-7-thia-6,9,11-triaza-benzo [c]fluorene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.