![3-benzyl-2-((2-morpholinoethyl)amino)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one structure](/static/products/896/896076-07-6.png)
3-benzyl-2-((2-morpholinoethyl)amino)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one
TL;DR: 3-benzyl-2-((2-morpholinoethyl)amino)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one (CAS 896076-07-6) is a chemical compound with molecular formula C24H30N4O2S and molecular weight 438.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzyl-5-(2-morpholin-4-ylethylamino)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one
Also Known As: 3-benzyl-2-((2-morpholinoethyl)amino)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one, 3-benzyl-2-{[2-(morpholin-4-yl)ethyl]amino}-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C24H30N4O2S |
|---|---|
| Molecular Weight | 438.21 g/mol |
| LogP | 3.5193 |
| Topological Polar Surface Area | 59.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 438.20895 |
| Heavy Atoms | 31 |
| Complexity | 1086.3926 |
Chemical Identifiers
| CAS Number | 896076-07-6 |
|---|---|
| SMILES | C1CCC2=C(CC1)SC3=C2C(=O)N(C(=N3)NCCN4CCOCC4)CC5=CC=CC=C5 |
Product Overview
3-benzyl-2-((2-morpholinoethyl)amino)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one (CAS 896076-07-6), with molecular formula C24H30N4O2S and molecular weight 438.21 g/mol. IUPAC: 4-benzyl-5-(2-morpholin-4-ylethylamino)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one.
Chemical Property Profile of 3-benzyl-2-((2-morpholinoethyl)amino)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one
Property Insights of 3-benzyl-2-((2-morpholinoethyl)amino)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one
The XLogP value of 3.5193 indicates that 3-benzyl-2-((2-morpholinoethyl)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 59.39 Ų, 3-benzyl-2-((2-morpholinoethyl)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-benzyl-2-((2-morpholinoethyl)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 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-benzyl-2-((2-morpholinoethyl)amino)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one?
The CAS number of 3-benzyl-2-((2-morpholinoethyl)amino)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one is 896076-07-6.
What is the molecular formula of 3-benzyl-2-((2-morpholinoethyl)amino)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one?
The molecular formula of 3-benzyl-2-((2-morpholinoethyl)amino)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one is C24H30N4O2S.
What is the molecular weight of 3-benzyl-2-((2-morpholinoethyl)amino)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one?
The molecular weight of 3-benzyl-2-((2-morpholinoethyl)amino)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one is 438.21 g/mol.
Where can I buy 3-benzyl-2-((2-morpholinoethyl)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-benzyl-2-((2-morpholinoethyl)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-benzyl-2-((2-morpholinoethyl)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-benzyl-2-((2-morpholinoethyl)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.