![3-(3-chlorophenyl)-2-((2-(dimethylamino)ethyl)amino)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one structure](/static/products/896/896599-44-3.png)
3-(3-chlorophenyl)-2-((2-(dimethylamino)ethyl)amino)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one
TL;DR: 3-(3-chlorophenyl)-2-((2-(dimethylamino)ethyl)amino)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one (CAS 896599-44-3) is a chemical compound with molecular formula C21H25ClN4OS and molecular weight 416.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-chlorophenyl)-5-[2-(dimethylamino)ethylamino]-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-((2-(dimethylamino)ethyl)amino)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one, 3-(3-chlorophenyl)-2-{[2-(dimethylamino)ethyl]amino}-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C21H25ClN4OS |
|---|---|
| Molecular Weight | 416.14 g/mol |
| LogP | 4.343 |
| Topological Polar Surface Area | 50.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 416.14377 |
| Heavy Atoms | 28 |
| Complexity | 1056.4756 |
Chemical Identifiers
| CAS Number | 896599-44-3 |
|---|---|
| SMILES | CN(C)CCNC1=NC2=C(C3=C(S2)CCCCC3)C(=O)N1C4=CC(=CC=C4)Cl |
Product Overview
3-(3-chlorophenyl)-2-((2-(dimethylamino)ethyl)amino)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one (CAS 896599-44-3), with molecular formula C21H25ClN4OS and molecular weight 416.14 g/mol. IUPAC: 4-(3-chlorophenyl)-5-[2-(dimethylamino)ethylamino]-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-((2-(dimethylamino)ethyl)amino)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one
Property Insights of 3-(3-chlorophenyl)-2-((2-(dimethylamino)ethyl)amino)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one
The XLogP value of 4.343 indicates that 3-(3-chlorophenyl)-2-((2-(dimethylamino)ethyl)amino)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.16 Ų, 3-(3-chlorophenyl)-2-((2-(dimethylamino)ethyl)amino)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-chlorophenyl)-2-((2-(dimethylamino)ethyl)amino)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one has 1 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-((2-(dimethylamino)ethyl)amino)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one?
The CAS number of 3-(3-chlorophenyl)-2-((2-(dimethylamino)ethyl)amino)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one is 896599-44-3.
What is the molecular formula of 3-(3-chlorophenyl)-2-((2-(dimethylamino)ethyl)amino)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one?
The molecular formula of 3-(3-chlorophenyl)-2-((2-(dimethylamino)ethyl)amino)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one is C21H25ClN4OS.
What is the molecular weight of 3-(3-chlorophenyl)-2-((2-(dimethylamino)ethyl)amino)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one?
The molecular weight of 3-(3-chlorophenyl)-2-((2-(dimethylamino)ethyl)amino)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one is 416.14 g/mol.
Where can I buy 3-(3-chlorophenyl)-2-((2-(dimethylamino)ethyl)amino)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one?
You can request a quote for 3-(3-chlorophenyl)-2-((2-(dimethylamino)ethyl)amino)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-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-(dimethylamino)ethyl)amino)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-chlorophenyl)-2-((2-(dimethylamino)ethyl)amino)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.