![8-(3-chlorophenyl)-4-(2-methylpropyl)-9-(piperazin-1-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7(8H)-one structure](/static/products/899/899397-71-8.png)
8-(3-chlorophenyl)-4-(2-methylpropyl)-9-(piperazin-1-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7(8H)-one
TL;DR: 8-(3-chlorophenyl)-4-(2-methylpropyl)-9-(piperazin-1-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7(8H)-one (CAS 899397-71-8) is a chemical compound with molecular formula C26H28ClN5OS and molecular weight 493.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-(3-chlorophenyl)-7-(2-methylpropyl)-14-piperazin-1-yl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),14-pentaen-12-one
Also Known As: 8-(3-chlorophenyl)-4-(2-methylpropyl)-9-(piperazin-1-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7(8H)-one, 8-(3-chlorophenyl)-4-isobutyl-9-(piperazin-1-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7(8H)-one
| Molecular Formula | C26H28ClN5OS |
|---|---|
| Molecular Weight | 493.17 g/mol |
| LogP | 4.7456 |
| Topological Polar Surface Area | 63.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 493.17032 |
| Heavy Atoms | 34 |
| Complexity | 1468.091 |
Chemical Identifiers
| CAS Number | 899397-71-8 |
|---|---|
| SMILES | CC(C)CC1=NC2=C(C3=C1CCC3)C4=C(S2)C(=O)N(C(=N4)N5CCNCC5)C6=CC(=CC=C6)Cl |
Product Overview
8-(3-chlorophenyl)-4-(2-methylpropyl)-9-(piperazin-1-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7(8H)-one (CAS 899397-71-8), with molecular formula C26H28ClN5OS and molecular weight 493.17 g/mol. IUPAC: 13-(3-chlorophenyl)-7-(2-methylpropyl)-14-piperazin-1-yl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),14-pentaen-12-one.
Chemical Property Profile of 8-(3-chlorophenyl)-4-(2-methylpropyl)-9-(piperazin-1-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7(8H)-one
Property Insights of 8-(3-chlorophenyl)-4-(2-methylpropyl)-9-(piperazin-1-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7(8H)-one
The XLogP value of 4.7456 indicates that 8-(3-chlorophenyl)-4-(2-methylpropyl)-9-(piperazin-1-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7(8H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(3-chlorophenyl)-4-(2-methylpropyl)-9-(piperazin-1-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7(8H)-one. Following Lipinski's Rule of Five, 8-(3-chlorophenyl)-4-(2-methylpropyl)-9-(piperazin-1-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7(8H)-one 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 8-(3-chlorophenyl)-4-(2-methylpropyl)-9-(piperazin-1-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7(8H)-one?
The CAS number of 8-(3-chlorophenyl)-4-(2-methylpropyl)-9-(piperazin-1-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7(8H)-one is 899397-71-8.
What is the molecular formula of 8-(3-chlorophenyl)-4-(2-methylpropyl)-9-(piperazin-1-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7(8H)-one?
The molecular formula of 8-(3-chlorophenyl)-4-(2-methylpropyl)-9-(piperazin-1-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7(8H)-one is C26H28ClN5OS.
What is the molecular weight of 8-(3-chlorophenyl)-4-(2-methylpropyl)-9-(piperazin-1-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7(8H)-one?
The molecular weight of 8-(3-chlorophenyl)-4-(2-methylpropyl)-9-(piperazin-1-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7(8H)-one is 493.17 g/mol.
Where can I buy 8-(3-chlorophenyl)-4-(2-methylpropyl)-9-(piperazin-1-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7(8H)-one?
You can request a quote for 8-(3-chlorophenyl)-4-(2-methylpropyl)-9-(piperazin-1-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7(8H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-(3-chlorophenyl)-4-(2-methylpropyl)-9-(piperazin-1-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7(8H)-one?
Yes, KEHONG BIO provides custom synthesis services for 8-(3-chlorophenyl)-4-(2-methylpropyl)-9-(piperazin-1-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7(8H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.