![3-(3-chlorophenyl)-2-(4-ethylpiperazin-1-yl)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one structure](/static/products/846/846594-37-4.png)
3-(3-chlorophenyl)-2-(4-ethylpiperazin-1-yl)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
TL;DR: 3-(3-chlorophenyl)-2-(4-ethylpiperazin-1-yl)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one (CAS 846594-37-4) is a chemical compound with molecular formula C22H26ClN5OS and molecular weight 443.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-chlorophenyl)-5-(4-ethylpiperazin-1-yl)-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Also Known As: 3-(3-chlorophenyl)-2-(4-ethylpiperazin-1-yl)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C22H26ClN5OS |
|---|---|
| Molecular Weight | 443.15 g/mol |
| LogP | 3.2304 |
| Topological Polar Surface Area | 44.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 443.15466 |
| Heavy Atoms | 30 |
| Complexity | 1148.3707 |
Chemical Identifiers
| CAS Number | 846594-37-4 |
|---|---|
| SMILES | CCN1CCN(CC1)C2=NC3=C(C4=C(S3)CN(CC4)C)C(=O)N2C5=CC(=CC=C5)Cl |
Product Overview
3-(3-chlorophenyl)-2-(4-ethylpiperazin-1-yl)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one (CAS 846594-37-4), with molecular formula C22H26ClN5OS and molecular weight 443.15 g/mol. IUPAC: 4-(3-chlorophenyl)-5-(4-ethylpiperazin-1-yl)-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one.
Chemical Property Profile of 3-(3-chlorophenyl)-2-(4-ethylpiperazin-1-yl)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Property Insights of 3-(3-chlorophenyl)-2-(4-ethylpiperazin-1-yl)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
The XLogP value of 3.2304 indicates that 3-(3-chlorophenyl)-2-(4-ethylpiperazin-1-yl)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.61 Ų, 3-(3-chlorophenyl)-2-(4-ethylpiperazin-1-yl)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-chlorophenyl)-2-(4-ethylpiperazin-1-yl)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one has 0 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 3-(3-chlorophenyl)-2-(4-ethylpiperazin-1-yl)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
The CAS number of 3-(3-chlorophenyl)-2-(4-ethylpiperazin-1-yl)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one is 846594-37-4.
What is the molecular formula of 3-(3-chlorophenyl)-2-(4-ethylpiperazin-1-yl)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
The molecular formula of 3-(3-chlorophenyl)-2-(4-ethylpiperazin-1-yl)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one is C22H26ClN5OS.
What is the molecular weight of 3-(3-chlorophenyl)-2-(4-ethylpiperazin-1-yl)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
The molecular weight of 3-(3-chlorophenyl)-2-(4-ethylpiperazin-1-yl)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one is 443.15 g/mol.
Where can I buy 3-(3-chlorophenyl)-2-(4-ethylpiperazin-1-yl)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
You can request a quote for 3-(3-chlorophenyl)-2-(4-ethylpiperazin-1-yl)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-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-ethylpiperazin-1-yl)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-chlorophenyl)-2-(4-ethylpiperazin-1-yl)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.