![9-(methylsulfanyl)-4-phenyl-7-(piperazin-1-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine structure](/static/products/844/844452-52-4.png)
9-(methylsulfanyl)-4-phenyl-7-(piperazin-1-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
TL;DR: 9-(methylsulfanyl)-4-phenyl-7-(piperazin-1-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine (CAS 844452-52-4) is a chemical compound with molecular formula C23H23N5S2 and molecular weight 433.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
14-methylsulfanyl-7-phenyl-12-piperazin-1-yl-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: 9-(methylsulfanyl)-4-phenyl-7-(piperazin-1-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine, 9-(methylthio)-4-phenyl-7-(piperazin-1-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
| Molecular Formula | C23H23N5S2 |
|---|---|
| Molecular Weight | 433.14 g/mol |
| LogP | 4.5267 |
| Topological Polar Surface Area | 53.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 433.1395 |
| Heavy Atoms | 30 |
| Complexity | 1245.407 |
Chemical Identifiers
| CAS Number | 844452-52-4 |
|---|---|
| SMILES | CSC1=NC2=C(C(=N1)N3CCNCC3)SC4=C2C5=C(CCC5)C(=N4)C6=CC=CC=C6 |
Product Overview
9-(methylsulfanyl)-4-phenyl-7-(piperazin-1-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine (CAS 844452-52-4), with molecular formula C23H23N5S2 and molecular weight 433.14 g/mol. IUPAC: 14-methylsulfanyl-7-phenyl-12-piperazin-1-yl-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 9-(methylsulfanyl)-4-phenyl-7-(piperazin-1-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Property Insights of 9-(methylsulfanyl)-4-phenyl-7-(piperazin-1-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
The XLogP value of 4.5267 indicates that 9-(methylsulfanyl)-4-phenyl-7-(piperazin-1-yl)-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 53.94 Ų, 9-(methylsulfanyl)-4-phenyl-7-(piperazin-1-yl)-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, 9-(methylsulfanyl)-4-phenyl-7-(piperazin-1-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine has 1 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 9-(methylsulfanyl)-4-phenyl-7-(piperazin-1-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine?
The CAS number of 9-(methylsulfanyl)-4-phenyl-7-(piperazin-1-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine is 844452-52-4.
What is the molecular formula of 9-(methylsulfanyl)-4-phenyl-7-(piperazin-1-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine?
The molecular formula of 9-(methylsulfanyl)-4-phenyl-7-(piperazin-1-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine is C23H23N5S2.
What is the molecular weight of 9-(methylsulfanyl)-4-phenyl-7-(piperazin-1-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine?
The molecular weight of 9-(methylsulfanyl)-4-phenyl-7-(piperazin-1-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine is 433.14 g/mol.
Where can I buy 9-(methylsulfanyl)-4-phenyl-7-(piperazin-1-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine?
You can request a quote for 9-(methylsulfanyl)-4-phenyl-7-(piperazin-1-yl)-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 9-(methylsulfanyl)-4-phenyl-7-(piperazin-1-yl)-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 9-(methylsulfanyl)-4-phenyl-7-(piperazin-1-yl)-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.