![4-(8-Furan-2-ylmethyl-5,7-dioxo-4,4-bis-trifluoromethyl-1,4,5,6,7,8-hexahydro-pyrimido[4,5-d]pyrimidin- 2-yl)-benzonitrile structure](/static/products/606/606923-98-2.png)
4-(8-Furan-2-ylmethyl-5,7-dioxo-4,4-bis-trifluoromethyl-1,4,5,6,7,8-hexahydro-pyrimido[4,5-d]pyrimidin- 2-yl)-benzonitrile
TL;DR: 4-(8-Furan-2-ylmethyl-5,7-dioxo-4,4-bis-trifluoromethyl-1,4,5,6,7,8-hexahydro-pyrimido[4,5-d]pyrimidin- 2-yl)-benzonitrile (CAS 606923-98-2) is a chemical compound with molecular formula C20H11F6N5O3 and molecular weight 483.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[1-(furan-2-ylmethyl)-2,4-dioxo-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-7-yl]benzonitrile
Also Known As: 4-(8-Furan-2-ylmethyl-5,7-dioxo-4,4-bis-trifluoromethyl-1,4,5,6,7,8-hexahydro-pyrimido[4,5-d]pyrimidin- 2-yl)-benzonitrile, 4-[1-(furan-2-ylmethyl)-2,4-dioxo-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-7-yl]benzonitrile, 4-[8-(furan-2-ylmethyl)-5-hydroxy-7-oxo-4,4-bis(trifluoromethyl)-1,4,7,8-tetrahydropyrimido[4,5-d]pyrimidin-2-yl]benzonitrile, 4-(8-(furan-2-ylmethyl)-5,7-dioxo-4,4-bis(trifluoromethyl)-1,4,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-2-yl)benzonitrile, 4-[1-(2-furanylmethyl)-2,4-dioxo-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-7-yl]benzonitrile
| Molecular Formula | C20H11F6N5O3 |
|---|---|
| Molecular Weight | 483.08 g/mol |
| LogP | 3.24178 |
| Topological Polar Surface Area | 116.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 483.0766 |
| Heavy Atoms | 34 |
| Complexity | 1410.2882 |
Chemical Identifiers
| CAS Number | 606923-98-2 |
|---|---|
| SMILES | C1=COC(=C1)CN2C3=C(C(=O)NC2=O)C(N=C(N3)C4=CC=C(C=C4)C#N)(C(F)(F)F)C(F)(F)F |
Product Overview
4-(8-Furan-2-ylmethyl-5,7-dioxo-4,4-bis-trifluoromethyl-1,4,5,6,7,8-hexahydro-pyrimido[4,5-d]pyrimidin- 2-yl)-benzonitrile (CAS 606923-98-2), with molecular formula C20H11F6N5O3 and molecular weight 483.08 g/mol. IUPAC: 4-[1-(furan-2-ylmethyl)-2,4-dioxo-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-7-yl]benzonitrile.
Chemical Property Profile of 4-(8-Furan-2-ylmethyl-5,7-dioxo-4,4-bis-trifluoromethyl-1,4,5,6,7,8-hexahydro-pyrimido[4,5-d]pyrimidin- 2-yl)-benzonitrile
Property Insights of 4-(8-Furan-2-ylmethyl-5,7-dioxo-4,4-bis-trifluoromethyl-1,4,5,6,7,8-hexahydro-pyrimido[4,5-d]pyrimidin- 2-yl)-benzonitrile
The XLogP value of 3.24178 indicates that 4-(8-Furan-2-ylmethyl-5,7-dioxo-4,4-bis-trifluoromethyl-1,4,5,6,7,8-hexahydro-pyrimido[4,5-d]pyrimidin- 2-yl)-benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(8-Furan-2-ylmethyl-5,7-dioxo-4,4-bis-trifluoromethyl-1,4,5,6,7,8-hexahydro-pyrimido[4,5-d]pyrimidin- 2-yl)-benzonitrile. Following Lipinski's Rule of Five, 4-(8-Furan-2-ylmethyl-5,7-dioxo-4,4-bis-trifluoromethyl-1,4,5,6,7,8-hexahydro-pyrimido[4,5-d]pyrimidin- 2-yl)-benzonitrile has 2 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 4-(8-Furan-2-ylmethyl-5,7-dioxo-4,4-bis-trifluoromethyl-1,4,5,6,7,8-hexahydro-pyrimido[4,5-d]pyrimidin- 2-yl)-benzonitrile?
The CAS number of 4-(8-Furan-2-ylmethyl-5,7-dioxo-4,4-bis-trifluoromethyl-1,4,5,6,7,8-hexahydro-pyrimido[4,5-d]pyrimidin- 2-yl)-benzonitrile is 606923-98-2.
What is the molecular formula of 4-(8-Furan-2-ylmethyl-5,7-dioxo-4,4-bis-trifluoromethyl-1,4,5,6,7,8-hexahydro-pyrimido[4,5-d]pyrimidin- 2-yl)-benzonitrile?
The molecular formula of 4-(8-Furan-2-ylmethyl-5,7-dioxo-4,4-bis-trifluoromethyl-1,4,5,6,7,8-hexahydro-pyrimido[4,5-d]pyrimidin- 2-yl)-benzonitrile is C20H11F6N5O3.
What is the molecular weight of 4-(8-Furan-2-ylmethyl-5,7-dioxo-4,4-bis-trifluoromethyl-1,4,5,6,7,8-hexahydro-pyrimido[4,5-d]pyrimidin- 2-yl)-benzonitrile?
The molecular weight of 4-(8-Furan-2-ylmethyl-5,7-dioxo-4,4-bis-trifluoromethyl-1,4,5,6,7,8-hexahydro-pyrimido[4,5-d]pyrimidin- 2-yl)-benzonitrile is 483.08 g/mol.
Where can I buy 4-(8-Furan-2-ylmethyl-5,7-dioxo-4,4-bis-trifluoromethyl-1,4,5,6,7,8-hexahydro-pyrimido[4,5-d]pyrimidin- 2-yl)-benzonitrile?
You can request a quote for 4-(8-Furan-2-ylmethyl-5,7-dioxo-4,4-bis-trifluoromethyl-1,4,5,6,7,8-hexahydro-pyrimido[4,5-d]pyrimidin- 2-yl)-benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(8-Furan-2-ylmethyl-5,7-dioxo-4,4-bis-trifluoromethyl-1,4,5,6,7,8-hexahydro-pyrimido[4,5-d]pyrimidin- 2-yl)-benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(8-Furan-2-ylmethyl-5,7-dioxo-4,4-bis-trifluoromethyl-1,4,5,6,7,8-hexahydro-pyrimido[4,5-d]pyrimidin- 2-yl)-benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.