(4R,5R,6R)-Tetrahydro-1,3-bis((3-(N-hydroxycarboximidamide)-phenyl)methyl)-5-hydroxy-4-(2-(4-fluorophenyl)ethyl)-6-(4-fluorophenylmethyl)-2(1H)-pyrimidinone
TL;DR: (4R,5R,6R)-Tetrahydro-1,3-bis((3-(N-hydroxycarboximidamide)-phenyl)methyl)-5-hydroxy-4-(2-(4-fluorophenyl)ethyl)-6-(4-fluorophenylmethyl)-2(1H)-pyrimidinone (CAS 167824-24-0) is a chemical compound with molecular formula C35H36F2N6O4 and molecular weight 642.2766 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[[(4R,5S,6R)-6-[2-(4-fluorophenyl)ethyl]-4-[(4-fluorophenyl)methyl]-5-hydroxy-3-[[3-[(E)-N'-hydroxycarbamimidoyl]phenyl]methyl]-2-oxo-1,3-diazinan-1-yl]methyl]-N'-hydroxybenzenecarboximidamide
Also Known As: (4R,5R,6R)-Tetrahydro-1,3-bis((3-(N-hydroxycarboximidamide)-phenyl)methyl)-5-hydroxy-4-(2-(4-fluorophenyl)ethyl)-6-(4-fluorophenylmethyl)-2(1H)-pyrimidinone, (4R,5R,6R)-Tetrahydro-1,3-bis[(3-(N-hydroxycarboximidamide)-phenyl)methyl]-5-hydroxy-4-(2-(4-fluorophenyl)ethyl]-6-(4-fluorophenylmethyl)-2(1H)-pyrimidinone, 3,3'-[{(4R,5S,6R)-4-[2-(4-Fluorophenyl)ethyl]-6-[(4-fluorophenyl)methyl]-5-hydroxy-2-oxo-1,3-diazinane-1,3-diyl}bis(methylene)]bis(N'-hydroxybenzene-1-carboximidamide), 3-[[(4R,5S,6R)-6-[2-(4-fluorophenyl)ethyl]-4-[(4-fluorophenyl)methyl]-5-hydroxy-3-[[3-[(E)-N'-hydroxycarbamimidoyl]phenyl]methyl]-2-oxo-hexahydropyrimidin-1-yl]methyl]-N'-hydroxy-benzamidine
Technical Specifications
| Molecular Formula | C35H36F2N6O4 |
| Molecular Weight | 642.2766 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 161.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 642.2766 Da |
| Heavy Atoms | 47 |
| Complexity | 1070.0 |
| SMILES | C1=CC(=CC(=C1)/C(=N\O)/N)CN2[C@@H]([C@@H]([C@H](N(C2=O)CC3=CC(=CC=C3)/C(=N\O)/N)CC4=CC=C(C=C4)F)O)CCC5=CC=C(C=C5)F |
| InChIKey | GNPYXBMOZFIQNG-IWWXRALLSA-N |
Chemical Property Profile of (4R,5R,6R)-Tetrahydro-1,3-bis((3-(N-hydroxycarboximidamide)-phenyl)methyl)-5-hydroxy-4-(2-(4-fluorophenyl)ethyl)-6-(4-fluorophenylmethyl)-2(1H)-pyrimidinone
Property Insights of (4R,5R,6R)-Tetrahydro-1,3-bis((3-(N-hydroxycarboximidamide)-phenyl)methyl)-5-hydroxy-4-(2-(4-fluorophenyl)ethyl)-6-(4-fluorophenylmethyl)-2(1H)-pyrimidinone
The XLogP value of 4.7 indicates that (4R,5R,6R)-Tetrahydro-1,3-bis((3-(N-hydroxycarboximidamide)-phenyl)methyl)-5-hydroxy-4-(2-(4-fluorophenyl)ethyl)-6-(4-fluorophenylmethyl)-2(1H)-pyrimidinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 161.0 Ų indicates high polarity, suggesting (4R,5R,6R)-Tetrahydro-1,3-bis((3-(N-hydroxycarboximidamide)-phenyl)methyl)-5-hydroxy-4-(2-(4-fluorophenyl)ethyl)-6-(4-fluorophenylmethyl)-2(1H)-pyrimidinone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (4R,5R,6R)-Tetrahydro-1,3-bis((3-(N-hydroxycarboximidamide)-phenyl)methyl)-5-hydroxy-4-(2-(4-fluorophenyl)ethyl)-6-(4-fluorophenylmethyl)-2(1H)-pyrimidinone has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of (4R,5R,6R)-Tetrahydro-1,3-bis((3-(N-hydroxycarboximidamide)-phenyl)methyl)-5-hydroxy-4-(2-(4-fluorophenyl)ethyl)-6-(4-fluorophenylmethyl)-2(1H)-pyrimidinone?
The CAS number of (4R,5R,6R)-Tetrahydro-1,3-bis((3-(N-hydroxycarboximidamide)-phenyl)methyl)-5-hydroxy-4-(2-(4-fluorophenyl)ethyl)-6-(4-fluorophenylmethyl)-2(1H)-pyrimidinone is 167824-24-0.
What is the molecular formula of (4R,5R,6R)-Tetrahydro-1,3-bis((3-(N-hydroxycarboximidamide)-phenyl)methyl)-5-hydroxy-4-(2-(4-fluorophenyl)ethyl)-6-(4-fluorophenylmethyl)-2(1H)-pyrimidinone?
The molecular formula of (4R,5R,6R)-Tetrahydro-1,3-bis((3-(N-hydroxycarboximidamide)-phenyl)methyl)-5-hydroxy-4-(2-(4-fluorophenyl)ethyl)-6-(4-fluorophenylmethyl)-2(1H)-pyrimidinone is C35H36F2N6O4.
What is the molecular weight of (4R,5R,6R)-Tetrahydro-1,3-bis((3-(N-hydroxycarboximidamide)-phenyl)methyl)-5-hydroxy-4-(2-(4-fluorophenyl)ethyl)-6-(4-fluorophenylmethyl)-2(1H)-pyrimidinone?
The molecular weight of (4R,5R,6R)-Tetrahydro-1,3-bis((3-(N-hydroxycarboximidamide)-phenyl)methyl)-5-hydroxy-4-(2-(4-fluorophenyl)ethyl)-6-(4-fluorophenylmethyl)-2(1H)-pyrimidinone is 642.2766 g/mol.
Where can I buy (4R,5R,6R)-Tetrahydro-1,3-bis((3-(N-hydroxycarboximidamide)-phenyl)methyl)-5-hydroxy-4-(2-(4-fluorophenyl)ethyl)-6-(4-fluorophenylmethyl)-2(1H)-pyrimidinone?
You can request a quote for (4R,5R,6R)-Tetrahydro-1,3-bis((3-(N-hydroxycarboximidamide)-phenyl)methyl)-5-hydroxy-4-(2-(4-fluorophenyl)ethyl)-6-(4-fluorophenylmethyl)-2(1H)-pyrimidinone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (4R,5R,6R)-Tetrahydro-1,3-bis((3-(N-hydroxycarboximidamide)-phenyl)methyl)-5-hydroxy-4-(2-(4-fluorophenyl)ethyl)-6-(4-fluorophenylmethyl)-2(1H)-pyrimidinone?
Yes, CoreyChem provides custom synthesis services for (4R,5R,6R)-Tetrahydro-1,3-bis((3-(N-hydroxycarboximidamide)-phenyl)methyl)-5-hydroxy-4-(2-(4-fluorophenyl)ethyl)-6-(4-fluorophenylmethyl)-2(1H)-pyrimidinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.