![4-butyl-7-(4-ethylpiperazin-1-yl)-9-(methylsulfanyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine structure](/static/products/844/844662-80-2.png)
4-butyl-7-(4-ethylpiperazin-1-yl)-9-(methylsulfanyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
TL;DR: 4-butyl-7-(4-ethylpiperazin-1-yl)-9-(methylsulfanyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine (CAS 844662-80-2) is a chemical compound with molecular formula C23H31N5S2 and molecular weight 441.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-butyl-12-(4-ethylpiperazin-1-yl)-14-methylsulfanyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaene
Also Known As: 4-butyl-7-(4-ethylpiperazin-1-yl)-9-(methylsulfanyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine, 4-butyl-7-(4-ethylpiperazin-1-yl)-9-(methylthio)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
| Molecular Formula | C23H31N5S2 |
|---|---|
| Molecular Weight | 441.20 g/mol |
| LogP | 4.9346 |
| Topological Polar Surface Area | 45.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 441.2021 |
| Heavy Atoms | 30 |
| Complexity | 1068.8119 |
Chemical Identifiers
| CAS Number | 844662-80-2 |
|---|---|
| SMILES | CCCCC1=NC2=C(C3=C1CCC3)C4=C(S2)C(=NC(=N4)SC)N5CCN(CC5)CC |
Product Overview
4-butyl-7-(4-ethylpiperazin-1-yl)-9-(methylsulfanyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine (CAS 844662-80-2), with molecular formula C23H31N5S2 and molecular weight 441.20 g/mol. IUPAC: 7-butyl-12-(4-ethylpiperazin-1-yl)-14-methylsulfanyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaene.
Chemical Property Profile of 4-butyl-7-(4-ethylpiperazin-1-yl)-9-(methylsulfanyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Property Insights of 4-butyl-7-(4-ethylpiperazin-1-yl)-9-(methylsulfanyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
The XLogP value of 4.9346 indicates that 4-butyl-7-(4-ethylpiperazin-1-yl)-9-(methylsulfanyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.15 Ų, 4-butyl-7-(4-ethylpiperazin-1-yl)-9-(methylsulfanyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-butyl-7-(4-ethylpiperazin-1-yl)-9-(methylsulfanyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine has 0 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 4-butyl-7-(4-ethylpiperazin-1-yl)-9-(methylsulfanyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine?
The CAS number of 4-butyl-7-(4-ethylpiperazin-1-yl)-9-(methylsulfanyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine is 844662-80-2.
What is the molecular formula of 4-butyl-7-(4-ethylpiperazin-1-yl)-9-(methylsulfanyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine?
The molecular formula of 4-butyl-7-(4-ethylpiperazin-1-yl)-9-(methylsulfanyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine is C23H31N5S2.
What is the molecular weight of 4-butyl-7-(4-ethylpiperazin-1-yl)-9-(methylsulfanyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine?
The molecular weight of 4-butyl-7-(4-ethylpiperazin-1-yl)-9-(methylsulfanyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine is 441.20 g/mol.
Where can I buy 4-butyl-7-(4-ethylpiperazin-1-yl)-9-(methylsulfanyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine?
You can request a quote for 4-butyl-7-(4-ethylpiperazin-1-yl)-9-(methylsulfanyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-butyl-7-(4-ethylpiperazin-1-yl)-9-(methylsulfanyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4-butyl-7-(4-ethylpiperazin-1-yl)-9-(methylsulfanyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.