![4-hydroxy-7-(3-methoxyphenyl)-1-(4-methylphenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one structure](/static/products/714/714232-79-8.png)
4-hydroxy-7-(3-methoxyphenyl)-1-(4-methylphenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one
TL;DR: 4-hydroxy-7-(3-methoxyphenyl)-1-(4-methylphenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one (CAS 714232-79-8) is a chemical compound with molecular formula C22H16F6N4O3 and molecular weight 498.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(3-methoxyphenyl)-1-(4-methylphenyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione
Also Known As: 4-hydroxy-7-(3-methoxyphenyl)-1-(4-methylphenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one, 7-(3-METHOXYPHENYL)-1-(4-METHYLPHENYL)-5,5-BIS(TRIFLUOROMETHYL)-1H,2H,3H,4H,5H,8H-PYRIMIDO[4,5-D][1,3]DIAZINE-2,4-DIONE, 7-(3-methoxyphenyl)-1-(4-methylphenyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione, 7-(3-methoxyphenyl)-1-(p-tolyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
| Molecular Formula | C22H16F6N4O3 |
|---|---|
| Molecular Weight | 498.11 g/mol |
| LogP | 4.03502 |
| Topological Polar Surface Area | 88.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 498.11267 |
| Heavy Atoms | 35 |
| Complexity | 1421.761 |
Chemical Identifiers
| CAS Number | 714232-79-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C3=C(C(=O)NC2=O)C(N=C(N3)C4=CC(=CC=C4)OC)(C(F)(F)F)C(F)(F)F |
Product Overview
4-hydroxy-7-(3-methoxyphenyl)-1-(4-methylphenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one (CAS 714232-79-8), with molecular formula C22H16F6N4O3 and molecular weight 498.11 g/mol. IUPAC: 7-(3-methoxyphenyl)-1-(4-methylphenyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione.
Chemical Property Profile of 4-hydroxy-7-(3-methoxyphenyl)-1-(4-methylphenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one
Property Insights of 4-hydroxy-7-(3-methoxyphenyl)-1-(4-methylphenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one
The XLogP value of 4.03502 indicates that 4-hydroxy-7-(3-methoxyphenyl)-1-(4-methylphenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-hydroxy-7-(3-methoxyphenyl)-1-(4-methylphenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one. Following Lipinski's Rule of Five, 4-hydroxy-7-(3-methoxyphenyl)-1-(4-methylphenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one 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 4-hydroxy-7-(3-methoxyphenyl)-1-(4-methylphenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one?
The CAS number of 4-hydroxy-7-(3-methoxyphenyl)-1-(4-methylphenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one is 714232-79-8.
What is the molecular formula of 4-hydroxy-7-(3-methoxyphenyl)-1-(4-methylphenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one?
The molecular formula of 4-hydroxy-7-(3-methoxyphenyl)-1-(4-methylphenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one is C22H16F6N4O3.
What is the molecular weight of 4-hydroxy-7-(3-methoxyphenyl)-1-(4-methylphenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one?
The molecular weight of 4-hydroxy-7-(3-methoxyphenyl)-1-(4-methylphenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one is 498.11 g/mol.
Where can I buy 4-hydroxy-7-(3-methoxyphenyl)-1-(4-methylphenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one?
You can request a quote for 4-hydroxy-7-(3-methoxyphenyl)-1-(4-methylphenyl)-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 4-hydroxy-7-(3-methoxyphenyl)-1-(4-methylphenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-hydroxy-7-(3-methoxyphenyl)-1-(4-methylphenyl)-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.