![7-phenyl-1-(pyridin-3-ylmethyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione structure](/static/products/879/879591-58-9.png)
7-phenyl-1-(pyridin-3-ylmethyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
TL;DR: 7-phenyl-1-(pyridin-3-ylmethyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione (CAS 879591-58-9) is a chemical compound with molecular formula C20H13F6N5O2 and molecular weight 469.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-phenyl-1-(pyridin-3-ylmethyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione
Also Known As: 7-phenyl-1-(pyridin-3-ylmethyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 2-hydroxy-7-phenyl-1-(pyridin-3-ylmethyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-4(1H)-one, 7-phenyl-1-(pyridin-3-ylmethyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione
| Molecular Formula | C20H13F6N5O2 |
|---|---|
| Molecular Weight | 469.10 g/mol |
| LogP | 3.1721 |
| Topological Polar Surface Area | 92.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 469.09735 |
| Heavy Atoms | 33 |
| Complexity | 1313.527 |
Chemical Identifiers
| CAS Number | 879591-58-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC(C3=C(N2)N(C(=O)NC3=O)CC4=CN=CC=C4)(C(F)(F)F)C(F)(F)F |
Product Overview
7-phenyl-1-(pyridin-3-ylmethyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione (CAS 879591-58-9), with molecular formula C20H13F6N5O2 and molecular weight 469.10 g/mol. IUPAC: 7-phenyl-1-(pyridin-3-ylmethyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione.
Chemical Property Profile of 7-phenyl-1-(pyridin-3-ylmethyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Property Insights of 7-phenyl-1-(pyridin-3-ylmethyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
The XLogP value of 3.1721 indicates that 7-phenyl-1-(pyridin-3-ylmethyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-phenyl-1-(pyridin-3-ylmethyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione. Following Lipinski's Rule of Five, 7-phenyl-1-(pyridin-3-ylmethyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione 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 7-phenyl-1-(pyridin-3-ylmethyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione?
The CAS number of 7-phenyl-1-(pyridin-3-ylmethyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione is 879591-58-9.
What is the molecular formula of 7-phenyl-1-(pyridin-3-ylmethyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione?
The molecular formula of 7-phenyl-1-(pyridin-3-ylmethyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione is C20H13F6N5O2.
What is the molecular weight of 7-phenyl-1-(pyridin-3-ylmethyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione?
The molecular weight of 7-phenyl-1-(pyridin-3-ylmethyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione is 469.10 g/mol.
Where can I buy 7-phenyl-1-(pyridin-3-ylmethyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione?
You can request a quote for 7-phenyl-1-(pyridin-3-ylmethyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-phenyl-1-(pyridin-3-ylmethyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-phenyl-1-(pyridin-3-ylmethyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.