![2-((2-hydroxyethyl)amino)-3-phenethyl-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one structure](/static/products/899/899404-03-6.png)
2-((2-hydroxyethyl)amino)-3-phenethyl-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one
TL;DR: 2-((2-hydroxyethyl)amino)-3-phenethyl-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one (CAS 899404-03-6) is a chemical compound with molecular formula C21H25N3O2S and molecular weight 383.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-hydroxyethylamino)-4-(2-phenylethyl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one
Also Known As: 2-((2-hydroxyethyl)amino)-3-phenethyl-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one, 2-(2-Hydroxy-ethylamino)-3-phenethyl-3,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulen-4-one, 2-[(2-hydroxyethyl)amino]-3-(2-phenylethyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C21H25N3O2S |
|---|---|
| Molecular Weight | 383.17 g/mol |
| LogP | 3.3738 |
| Topological Polar Surface Area | 67.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 383.16675 |
| Heavy Atoms | 27 |
| Complexity | 978.49567 |
Chemical Identifiers
| CAS Number | 899404-03-6 |
|---|---|
| SMILES | C1CCC2=C(CC1)SC3=C2C(=O)N(C(=N3)NCCO)CCC4=CC=CC=C4 |
Product Overview
2-((2-hydroxyethyl)amino)-3-phenethyl-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one (CAS 899404-03-6), with molecular formula C21H25N3O2S and molecular weight 383.17 g/mol. IUPAC: 5-(2-hydroxyethylamino)-4-(2-phenylethyl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one.
Chemical Property Profile of 2-((2-hydroxyethyl)amino)-3-phenethyl-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one
Property Insights of 2-((2-hydroxyethyl)amino)-3-phenethyl-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one
The XLogP value of 3.3738 indicates that 2-((2-hydroxyethyl)amino)-3-phenethyl-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 67.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((2-hydroxyethyl)amino)-3-phenethyl-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one. Following Lipinski's Rule of Five, 2-((2-hydroxyethyl)amino)-3-phenethyl-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one has 2 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 2-((2-hydroxyethyl)amino)-3-phenethyl-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one?
The CAS number of 2-((2-hydroxyethyl)amino)-3-phenethyl-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one is 899404-03-6.
What is the molecular formula of 2-((2-hydroxyethyl)amino)-3-phenethyl-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one?
The molecular formula of 2-((2-hydroxyethyl)amino)-3-phenethyl-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one is C21H25N3O2S.
What is the molecular weight of 2-((2-hydroxyethyl)amino)-3-phenethyl-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one?
The molecular weight of 2-((2-hydroxyethyl)amino)-3-phenethyl-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one is 383.17 g/mol.
Where can I buy 2-((2-hydroxyethyl)amino)-3-phenethyl-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one?
You can request a quote for 2-((2-hydroxyethyl)amino)-3-phenethyl-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-((2-hydroxyethyl)amino)-3-phenethyl-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-((2-hydroxyethyl)amino)-3-phenethyl-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.