![2-((3-(dimethylamino)propyl)amino)-3-(furan-2-ylmethyl)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one structure](/static/products/896/896830-16-3.png)
2-((3-(dimethylamino)propyl)amino)-3-(furan-2-ylmethyl)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one
TL;DR: 2-((3-(dimethylamino)propyl)amino)-3-(furan-2-ylmethyl)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one (CAS 896830-16-3) is a chemical compound with molecular formula C21H28N4O2S and molecular weight 400.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[3-(dimethylamino)propylamino]-4-(furan-2-ylmethyl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one
Also Known As: 2-((3-(dimethylamino)propyl)amino)-3-(furan-2-ylmethyl)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one, 2-{[3-(dimethylamino)propyl]amino}-3-(furan-2-ylmethyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C21H28N4O2S |
|---|---|
| Molecular Weight | 400.19 g/mol |
| LogP | 3.7318 |
| Topological Polar Surface Area | 63.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 400.1933 |
| Heavy Atoms | 28 |
| Complexity | 988.1623 |
Chemical Identifiers
| CAS Number | 896830-16-3 |
|---|---|
| SMILES | CN(C)CCCNC1=NC2=C(C3=C(S2)CCCCC3)C(=O)N1CC4=CC=CO4 |
Product Overview
2-((3-(dimethylamino)propyl)amino)-3-(furan-2-ylmethyl)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one (CAS 896830-16-3), with molecular formula C21H28N4O2S and molecular weight 400.19 g/mol. IUPAC: 5-[3-(dimethylamino)propylamino]-4-(furan-2-ylmethyl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one.
Chemical Property Profile of 2-((3-(dimethylamino)propyl)amino)-3-(furan-2-ylmethyl)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one
Property Insights of 2-((3-(dimethylamino)propyl)amino)-3-(furan-2-ylmethyl)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one
The XLogP value of 3.7318 indicates that 2-((3-(dimethylamino)propyl)amino)-3-(furan-2-ylmethyl)-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. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((3-(dimethylamino)propyl)amino)-3-(furan-2-ylmethyl)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one. Following Lipinski's Rule of Five, 2-((3-(dimethylamino)propyl)amino)-3-(furan-2-ylmethyl)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-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 2-((3-(dimethylamino)propyl)amino)-3-(furan-2-ylmethyl)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one?
The CAS number of 2-((3-(dimethylamino)propyl)amino)-3-(furan-2-ylmethyl)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one is 896830-16-3.
What is the molecular formula of 2-((3-(dimethylamino)propyl)amino)-3-(furan-2-ylmethyl)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one?
The molecular formula of 2-((3-(dimethylamino)propyl)amino)-3-(furan-2-ylmethyl)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one is C21H28N4O2S.
What is the molecular weight of 2-((3-(dimethylamino)propyl)amino)-3-(furan-2-ylmethyl)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one?
The molecular weight of 2-((3-(dimethylamino)propyl)amino)-3-(furan-2-ylmethyl)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one is 400.19 g/mol.
Where can I buy 2-((3-(dimethylamino)propyl)amino)-3-(furan-2-ylmethyl)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one?
You can request a quote for 2-((3-(dimethylamino)propyl)amino)-3-(furan-2-ylmethyl)-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 2-((3-(dimethylamino)propyl)amino)-3-(furan-2-ylmethyl)-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 2-((3-(dimethylamino)propyl)amino)-3-(furan-2-ylmethyl)-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.