![3-(3-chlorophenyl)-2-((2-(diethylamino)ethyl)amino)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one structure](/static/products/844/844654-14-4.png)
3-(3-chlorophenyl)-2-((2-(diethylamino)ethyl)amino)-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-((2-(diethylamino)ethyl)amino)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one (CAS 844654-14-4) is a chemical compound with molecular formula C22H28ClN5OS and molecular weight 445.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-chlorophenyl)-5-[2-(diethylamino)ethylamino]-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-((2-(diethylamino)ethyl)amino)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 3-(3-chlorophenyl)-2-{[2-(diethylamino)ethyl]amino}-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C22H28ClN5OS |
|---|---|
| Molecular Weight | 445.17 g/mol |
| LogP | 3.8422 |
| Topological Polar Surface Area | 53.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 445.17032 |
| Heavy Atoms | 30 |
| Complexity | 1104.8363 |
Chemical Identifiers
| CAS Number | 844654-14-4 |
|---|---|
| SMILES | CCN(CC)CCNC1=NC2=C(C3=C(S2)CN(CC3)C)C(=O)N1C4=CC(=CC=C4)Cl |
Product Overview
3-(3-chlorophenyl)-2-((2-(diethylamino)ethyl)amino)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one (CAS 844654-14-4), with molecular formula C22H28ClN5OS and molecular weight 445.17 g/mol. IUPAC: 4-(3-chlorophenyl)-5-[2-(diethylamino)ethylamino]-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-((2-(diethylamino)ethyl)amino)-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-((2-(diethylamino)ethyl)amino)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
The XLogP value of 3.8422 indicates that 3-(3-chlorophenyl)-2-((2-(diethylamino)ethyl)amino)-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 53.4 Ų, 3-(3-chlorophenyl)-2-((2-(diethylamino)ethyl)amino)-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-((2-(diethylamino)ethyl)amino)-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 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-((2-(diethylamino)ethyl)amino)-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-((2-(diethylamino)ethyl)amino)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one is 844654-14-4.
What is the molecular formula of 3-(3-chlorophenyl)-2-((2-(diethylamino)ethyl)amino)-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-((2-(diethylamino)ethyl)amino)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one is C22H28ClN5OS.
What is the molecular weight of 3-(3-chlorophenyl)-2-((2-(diethylamino)ethyl)amino)-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-((2-(diethylamino)ethyl)amino)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one is 445.17 g/mol.
Where can I buy 3-(3-chlorophenyl)-2-((2-(diethylamino)ethyl)amino)-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-((2-(diethylamino)ethyl)amino)-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-((2-(diethylamino)ethyl)amino)-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-((2-(diethylamino)ethyl)amino)-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.