![1-benzyl-7-(2-cyclohexylethyl)-4-hydroxy-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one structure](/static/products/634/634172-92-2.png)
1-benzyl-7-(2-cyclohexylethyl)-4-hydroxy-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one
TL;DR: 1-benzyl-7-(2-cyclohexylethyl)-4-hydroxy-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one (CAS 634172-92-2) is a chemical compound with molecular formula C23H24F6N4O2 and molecular weight 502.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-7-(2-cyclohexylethyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione
Also Known As: 1-benzyl-7-(2-cyclohexylethyl)-4-hydroxy-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one, 1-BENZYL-7-(2-CYCLOHEXYLETHYL)-5,5-BIS(TRIFLUOROMETHYL)-1H,2H,3H,4H,5H,8H-PYRIMIDO[4,5-D][1,3]DIAZINE-2,4-DIONE, 1-benzyl-7-(2-cyclohexylethyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 1-benzyl-7-(2-cyclohexylethyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione, 5,5-bis(trifluoromethyl)-7-(2-cyclohexylethyl)-1-benzyl-1,3,5,8-tetrahydropyri midino[4,5-d]pyrimidine-2,4-dione
| Molecular Formula | C23H24F6N4O2 |
|---|---|
| Molecular Weight | 502.18 g/mol |
| LogP | 5.0893 |
| Topological Polar Surface Area | 79.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 502.18036 |
| Heavy Atoms | 35 |
| Complexity | 1193.7332 |
Chemical Identifiers
| CAS Number | 634172-92-2 |
|---|---|
| SMILES | C1CCC(CC1)CCC2=NC(C3=C(N2)N(C(=O)NC3=O)CC4=CC=CC=C4)(C(F)(F)F)C(F)(F)F |
Product Overview
1-benzyl-7-(2-cyclohexylethyl)-4-hydroxy-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one (CAS 634172-92-2), with molecular formula C23H24F6N4O2 and molecular weight 502.18 g/mol. IUPAC: 1-benzyl-7-(2-cyclohexylethyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione.
Chemical Property Profile of 1-benzyl-7-(2-cyclohexylethyl)-4-hydroxy-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one
Property Insights of 1-benzyl-7-(2-cyclohexylethyl)-4-hydroxy-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one
The XLogP value of 5.0893 indicates that 1-benzyl-7-(2-cyclohexylethyl)-4-hydroxy-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 79.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-benzyl-7-(2-cyclohexylethyl)-4-hydroxy-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one. Following Lipinski's Rule of Five, 1-benzyl-7-(2-cyclohexylethyl)-4-hydroxy-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-benzyl-7-(2-cyclohexylethyl)-4-hydroxy-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one?
The CAS number of 1-benzyl-7-(2-cyclohexylethyl)-4-hydroxy-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one is 634172-92-2.
What is the molecular formula of 1-benzyl-7-(2-cyclohexylethyl)-4-hydroxy-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one?
The molecular formula of 1-benzyl-7-(2-cyclohexylethyl)-4-hydroxy-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one is C23H24F6N4O2.
What is the molecular weight of 1-benzyl-7-(2-cyclohexylethyl)-4-hydroxy-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one?
The molecular weight of 1-benzyl-7-(2-cyclohexylethyl)-4-hydroxy-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one is 502.18 g/mol.
Where can I buy 1-benzyl-7-(2-cyclohexylethyl)-4-hydroxy-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one?
You can request a quote for 1-benzyl-7-(2-cyclohexylethyl)-4-hydroxy-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-benzyl-7-(2-cyclohexylethyl)-4-hydroxy-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1-benzyl-7-(2-cyclohexylethyl)-4-hydroxy-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.