![3-(3-chlorophenyl)-2-(4-methylpiperazin-1-yl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one structure](/static/products/896/896830-19-6.png)
3-(3-chlorophenyl)-2-(4-methylpiperazin-1-yl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
TL;DR: 3-(3-chlorophenyl)-2-(4-methylpiperazin-1-yl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one (CAS 896830-19-6) is a chemical compound with molecular formula C22H25ClN4OS and molecular weight 428.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-chlorophenyl)-5-(4-methylpiperazin-1-yl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one
Also Known As: 3-(3-chlorophenyl)-2-(4-methylpiperazin-1-yl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one, 3-(3-chlorophenyl)-2-(4-methylpiperazin-1-yl)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one
| Molecular Formula | C22H25ClN4OS |
|---|---|
| Molecular Weight | 428.14 g/mol |
| LogP | 4.1213 |
| Topological Polar Surface Area | 41.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 428.14377 |
| Heavy Atoms | 29 |
| Complexity | 1113.9331 |
Chemical Identifiers
| CAS Number | 896830-19-6 |
|---|---|
| SMILES | CN1CCN(CC1)C2=NC3=C(C4=C(S3)CCCCC4)C(=O)N2C5=CC(=CC=C5)Cl |
Product Overview
3-(3-chlorophenyl)-2-(4-methylpiperazin-1-yl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one (CAS 896830-19-6), with molecular formula C22H25ClN4OS and molecular weight 428.14 g/mol. IUPAC: 4-(3-chlorophenyl)-5-(4-methylpiperazin-1-yl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one.
Chemical Property Profile of 3-(3-chlorophenyl)-2-(4-methylpiperazin-1-yl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Property Insights of 3-(3-chlorophenyl)-2-(4-methylpiperazin-1-yl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
The XLogP value of 4.1213 indicates that 3-(3-chlorophenyl)-2-(4-methylpiperazin-1-yl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.37 Ų, 3-(3-chlorophenyl)-2-(4-methylpiperazin-1-yl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-chlorophenyl)-2-(4-methylpiperazin-1-yl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one has 0 hydrogen bond donor(s) and 5 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 3-(3-chlorophenyl)-2-(4-methylpiperazin-1-yl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one?
The CAS number of 3-(3-chlorophenyl)-2-(4-methylpiperazin-1-yl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one is 896830-19-6.
What is the molecular formula of 3-(3-chlorophenyl)-2-(4-methylpiperazin-1-yl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one?
The molecular formula of 3-(3-chlorophenyl)-2-(4-methylpiperazin-1-yl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one is C22H25ClN4OS.
What is the molecular weight of 3-(3-chlorophenyl)-2-(4-methylpiperazin-1-yl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one?
The molecular weight of 3-(3-chlorophenyl)-2-(4-methylpiperazin-1-yl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one is 428.14 g/mol.
Where can I buy 3-(3-chlorophenyl)-2-(4-methylpiperazin-1-yl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one?
You can request a quote for 3-(3-chlorophenyl)-2-(4-methylpiperazin-1-yl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-chlorophenyl)-2-(4-methylpiperazin-1-yl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-chlorophenyl)-2-(4-methylpiperazin-1-yl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.