![7-Ethyl-2-(1-phenylprop-1-en-2-yl)-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one structure](/static/products/4552/4552-70-9.webp)
7-Ethyl-2-(1-phenylprop-1-en-2-yl)-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one
TL;DR: 7-Ethyl-2-(1-phenylprop-1-en-2-yl)-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one (CAS 4552-70-9) is a chemical compound with molecular formula C20H23N3OS and molecular weight 353.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-ethyl-5-(1-phenylprop-1-en-2-yl)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one
Also Known As: 7-Ethyl-2-(1-phenylprop-1-en-2-yl)-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one
| Molecular Formula | C20H23N3OS |
|---|---|
| Molecular Weight | 353.16 g/mol |
| LogP | 3.711 |
| Topological Polar Surface Area | 44.37 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 353.1562 |
| Heavy Atoms | 25 |
| Complexity | 824.96686 |
Chemical Identifiers
| CAS Number | 4552-70-9 |
|---|---|
| SMILES | CCN1CCC2=C(C1)SC3=C2C(=O)NC(N3)C(=CC4=CC=CC=C4)C |
Product Overview
7-Ethyl-2-(1-phenylprop-1-en-2-yl)-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one (CAS 4552-70-9), with molecular formula C20H23N3OS and molecular weight 353.16 g/mol. IUPAC: 11-ethyl-5-(1-phenylprop-1-en-2-yl)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one.
Chemical Property Profile of 7-Ethyl-2-(1-phenylprop-1-en-2-yl)-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one
Property Insights of 7-Ethyl-2-(1-phenylprop-1-en-2-yl)-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one
The XLogP value of 3.711 indicates that 7-Ethyl-2-(1-phenylprop-1-en-2-yl)-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.37 Ų, 7-Ethyl-2-(1-phenylprop-1-en-2-yl)-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Ethyl-2-(1-phenylprop-1-en-2-yl)-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one has 2 hydrogen bond donor(s) and 4 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 7-Ethyl-2-(1-phenylprop-1-en-2-yl)-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one?
The CAS number of 7-Ethyl-2-(1-phenylprop-1-en-2-yl)-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one is 4552-70-9.
What is the molecular formula of 7-Ethyl-2-(1-phenylprop-1-en-2-yl)-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one?
The molecular formula of 7-Ethyl-2-(1-phenylprop-1-en-2-yl)-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one is C20H23N3OS.
What is the molecular weight of 7-Ethyl-2-(1-phenylprop-1-en-2-yl)-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one?
The molecular weight of 7-Ethyl-2-(1-phenylprop-1-en-2-yl)-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one is 353.16 g/mol.
Where can I buy 7-Ethyl-2-(1-phenylprop-1-en-2-yl)-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one?
You can request a quote for 7-Ethyl-2-(1-phenylprop-1-en-2-yl)-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Ethyl-2-(1-phenylprop-1-en-2-yl)-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 7-Ethyl-2-(1-phenylprop-1-en-2-yl)-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.