![4-[[5-(1,2,3,4,5,6,7,8-Octahydro-7-methyl-4-oxopyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)-2-furanyl]methoxy]benzonitrile structure](/static/products/4382/438219-60-4.webp)
4-[[5-(1,2,3,4,5,6,7,8-Octahydro-7-methyl-4-oxopyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)-2-furanyl]methoxy]benzonitrile
TL;DR: 4-[[5-(1,2,3,4,5,6,7,8-Octahydro-7-methyl-4-oxopyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)-2-furanyl]methoxy]benzonitrile (CAS 438219-60-4) is a chemical compound with molecular formula C22H20N4O3S and molecular weight 420.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[5-(11-methyl-3-oxo-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-5-yl)furan-2-yl]methoxy]benzonitrile
Also Known As: 4-[[5-(1,2,3,4,5,6,7,8-Octahydro-7-methyl-4-oxopyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)-2-furanyl]methoxy]benzonitrile, 4-{[5-(7-methyl-4-oxo-1,2,3,4,5,6,7,8-octahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)-2-furyl]methoxy}benzonitrile, 4-{[5-(7-methyl-4-oxo-1,2,3,4,5,6,7,8-octahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)furan-2-yl]methoxy}benzonitrile, 4-[[5-(1,2,3,4,5,6,7,8-Octahydro-7-methyl-4-oxopyrido[4a(2),3a(2):4,5]thieno[2,3-d]pyrimidin-2-yl)-2-furanyl]methoxy]benzonitrile, 4-[[5-(11-methyl-3-oxo-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-5-yl)furan-2-yl]methoxy]benzonitrile
| Molecular Formula | C22H20N4O3S |
|---|---|
| Molecular Weight | 420.13 g/mol |
| LogP | 3.63378 |
| Topological Polar Surface Area | 90.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 420.1256 |
| Heavy Atoms | 30 |
| Complexity | 1142.337 |
Chemical Identifiers
| CAS Number | 438219-60-4 |
|---|---|
| SMILES | CN1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC=C(O4)COC5=CC=C(C=C5)C#N |
Product Overview
4-[[5-(1,2,3,4,5,6,7,8-Octahydro-7-methyl-4-oxopyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)-2-furanyl]methoxy]benzonitrile (CAS 438219-60-4), with molecular formula C22H20N4O3S and molecular weight 420.13 g/mol. IUPAC: 4-[[5-(11-methyl-3-oxo-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-5-yl)furan-2-yl]methoxy]benzonitrile.
Chemical Property Profile of 4-[[5-(1,2,3,4,5,6,7,8-Octahydro-7-methyl-4-oxopyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)-2-furanyl]methoxy]benzonitrile
Property Insights of 4-[[5-(1,2,3,4,5,6,7,8-Octahydro-7-methyl-4-oxopyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)-2-furanyl]methoxy]benzonitrile
The XLogP value of 3.63378 indicates that 4-[[5-(1,2,3,4,5,6,7,8-Octahydro-7-methyl-4-oxopyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)-2-furanyl]methoxy]benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[[5-(1,2,3,4,5,6,7,8-Octahydro-7-methyl-4-oxopyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)-2-furanyl]methoxy]benzonitrile. Following Lipinski's Rule of Five, 4-[[5-(1,2,3,4,5,6,7,8-Octahydro-7-methyl-4-oxopyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)-2-furanyl]methoxy]benzonitrile has 2 hydrogen bond donor(s) and 7 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 4-[[5-(1,2,3,4,5,6,7,8-Octahydro-7-methyl-4-oxopyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)-2-furanyl]methoxy]benzonitrile?
The CAS number of 4-[[5-(1,2,3,4,5,6,7,8-Octahydro-7-methyl-4-oxopyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)-2-furanyl]methoxy]benzonitrile is 438219-60-4.
What is the molecular formula of 4-[[5-(1,2,3,4,5,6,7,8-Octahydro-7-methyl-4-oxopyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)-2-furanyl]methoxy]benzonitrile?
The molecular formula of 4-[[5-(1,2,3,4,5,6,7,8-Octahydro-7-methyl-4-oxopyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)-2-furanyl]methoxy]benzonitrile is C22H20N4O3S.
What is the molecular weight of 4-[[5-(1,2,3,4,5,6,7,8-Octahydro-7-methyl-4-oxopyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)-2-furanyl]methoxy]benzonitrile?
The molecular weight of 4-[[5-(1,2,3,4,5,6,7,8-Octahydro-7-methyl-4-oxopyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)-2-furanyl]methoxy]benzonitrile is 420.13 g/mol.
Where can I buy 4-[[5-(1,2,3,4,5,6,7,8-Octahydro-7-methyl-4-oxopyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)-2-furanyl]methoxy]benzonitrile?
You can request a quote for 4-[[5-(1,2,3,4,5,6,7,8-Octahydro-7-methyl-4-oxopyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)-2-furanyl]methoxy]benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[[5-(1,2,3,4,5,6,7,8-Octahydro-7-methyl-4-oxopyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)-2-furanyl]methoxy]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-[[5-(1,2,3,4,5,6,7,8-Octahydro-7-methyl-4-oxopyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)-2-furanyl]methoxy]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.