![3-(3-chlorophenyl)-2-(4-(2-hydroxyethyl)piperazin-1-yl)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one structure](/static/products/844/844459-20-7.png)
3-(3-chlorophenyl)-2-(4-(2-hydroxyethyl)piperazin-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-(2-hydroxyethyl)piperazin-1-yl)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one (CAS 844459-20-7) is a chemical compound with molecular formula C22H26ClN5O2S and molecular weight 459.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-chlorophenyl)-5-[4-(2-hydroxyethyl)piperazin-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-(2-hydroxyethyl)piperazin-1-yl)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 3-(3-chlorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C22H26ClN5O2S |
|---|---|
| Molecular Weight | 459.15 g/mol |
| LogP | 2.2028 |
| Topological Polar Surface Area | 64.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 459.14957 |
| Heavy Atoms | 31 |
| Complexity | 1168.6531 |
Chemical Identifiers
| CAS Number | 844459-20-7 |
|---|---|
| SMILES | CN1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)N4CCN(CC4)CCO)C5=CC(=CC=C5)Cl |
Product Overview
3-(3-chlorophenyl)-2-(4-(2-hydroxyethyl)piperazin-1-yl)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one (CAS 844459-20-7), with molecular formula C22H26ClN5O2S and molecular weight 459.15 g/mol. IUPAC: 4-(3-chlorophenyl)-5-[4-(2-hydroxyethyl)piperazin-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-(2-hydroxyethyl)piperazin-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-(2-hydroxyethyl)piperazin-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 2.2028 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-chlorophenyl)-2-(4-(2-hydroxyethyl)piperazin-1-yl)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one. The TPSA of 64.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-chlorophenyl)-2-(4-(2-hydroxyethyl)piperazin-1-yl)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one. Following Lipinski's Rule of Five, 3-(3-chlorophenyl)-2-(4-(2-hydroxyethyl)piperazin-1-yl)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one 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 3-(3-chlorophenyl)-2-(4-(2-hydroxyethyl)piperazin-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-(2-hydroxyethyl)piperazin-1-yl)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one is 844459-20-7.
What is the molecular formula of 3-(3-chlorophenyl)-2-(4-(2-hydroxyethyl)piperazin-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-(2-hydroxyethyl)piperazin-1-yl)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one is C22H26ClN5O2S.
What is the molecular weight of 3-(3-chlorophenyl)-2-(4-(2-hydroxyethyl)piperazin-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-(2-hydroxyethyl)piperazin-1-yl)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one is 459.15 g/mol.
Where can I buy 3-(3-chlorophenyl)-2-(4-(2-hydroxyethyl)piperazin-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-(2-hydroxyethyl)piperazin-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-(2-hydroxyethyl)piperazin-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-(2-hydroxyethyl)piperazin-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.