![1-(furan-2-ylmethyl)-4-hydroxy-7-(pyridin-4-yl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one structure](/static/products/578/578700-15-9.png)
1-(furan-2-ylmethyl)-4-hydroxy-7-(pyridin-4-yl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one
TL;DR: 1-(furan-2-ylmethyl)-4-hydroxy-7-(pyridin-4-yl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one (CAS 578700-15-9) is a chemical compound with molecular formula C18H11F6N5O3 and molecular weight 459.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(furan-2-ylmethyl)-7-pyridin-4-yl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione
Also Known As: 1-(furan-2-ylmethyl)-4-hydroxy-7-(pyridin-4-yl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one, 1-(furan-2-ylmethyl)-7-(pyridin-4-yl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 1-(furan-2-ylmethyl)-7-pyridin-4-yl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione
| Molecular Formula | C18H11F6N5O3 |
|---|---|
| Molecular Weight | 459.08 g/mol |
| LogP | 2.7651 |
| Topological Polar Surface Area | 105.28 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 459.0766 |
| Heavy Atoms | 32 |
| Complexity | 1275.8651 |
Chemical Identifiers
| CAS Number | 578700-15-9 |
|---|---|
| SMILES | C1=COC(=C1)CN2C3=C(C(=O)NC2=O)C(N=C(N3)C4=CC=NC=C4)(C(F)(F)F)C(F)(F)F |
Product Overview
1-(furan-2-ylmethyl)-4-hydroxy-7-(pyridin-4-yl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one (CAS 578700-15-9), with molecular formula C18H11F6N5O3 and molecular weight 459.08 g/mol. IUPAC: 1-(furan-2-ylmethyl)-7-pyridin-4-yl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione.
Chemical Property Profile of 1-(furan-2-ylmethyl)-4-hydroxy-7-(pyridin-4-yl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one
Property Insights of 1-(furan-2-ylmethyl)-4-hydroxy-7-(pyridin-4-yl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one
The XLogP value of 2.7651 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(furan-2-ylmethyl)-4-hydroxy-7-(pyridin-4-yl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one. The TPSA of 105.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(furan-2-ylmethyl)-4-hydroxy-7-(pyridin-4-yl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one. Following Lipinski's Rule of Five, 1-(furan-2-ylmethyl)-4-hydroxy-7-(pyridin-4-yl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one 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 1-(furan-2-ylmethyl)-4-hydroxy-7-(pyridin-4-yl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one?
The CAS number of 1-(furan-2-ylmethyl)-4-hydroxy-7-(pyridin-4-yl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one is 578700-15-9.
What is the molecular formula of 1-(furan-2-ylmethyl)-4-hydroxy-7-(pyridin-4-yl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one?
The molecular formula of 1-(furan-2-ylmethyl)-4-hydroxy-7-(pyridin-4-yl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one is C18H11F6N5O3.
What is the molecular weight of 1-(furan-2-ylmethyl)-4-hydroxy-7-(pyridin-4-yl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one?
The molecular weight of 1-(furan-2-ylmethyl)-4-hydroxy-7-(pyridin-4-yl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one is 459.08 g/mol.
Where can I buy 1-(furan-2-ylmethyl)-4-hydroxy-7-(pyridin-4-yl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one?
You can request a quote for 1-(furan-2-ylmethyl)-4-hydroxy-7-(pyridin-4-yl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(furan-2-ylmethyl)-4-hydroxy-7-(pyridin-4-yl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(furan-2-ylmethyl)-4-hydroxy-7-(pyridin-4-yl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.