(E)-5-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)methylene)-1-(4-fluorobenzyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
TL;DR: (E)-5-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)methylene)-1-(4-fluorobenzyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 578748-98-8) is a chemical compound with molecular formula C23H20FN5O3S and molecular weight 465.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)iminomethyl]-1-[(4-fluorophenyl)methyl]-6-hydroxy-2-sulfanylidenepyrimidin-4-one
Also Known As: (E)-5-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)methylene)-1-(4-fluorobenzyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, (5E)-5-[[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]methylidene]-1-[(4-fluorophenyl)methyl]-2-sulfanylidene-1,3-diazinane-4,6-dione, (5E)-5-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]methylidene}-1-(4-fluorobenzyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione, 5-[[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]methylidene]-1-[(4-fluorophenyl)methyl]-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C23H20FN5O3S |
|---|---|
| Molecular Weight | 465.13 g/mol |
| LogP | 3.34731 |
| Topological Polar Surface Area | 97.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 465.12708 |
| Heavy Atoms | 33 |
| Complexity | 1530.0433 |
Chemical Identifiers
| CAS Number | 578748-98-8 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=C(N(C(=S)NC3=O)CC4=CC=C(C=C4)F)O |
Product Overview
(E)-5-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)methylene)-1-(4-fluorobenzyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 578748-98-8), with molecular formula C23H20FN5O3S and molecular weight 465.13 g/mol. IUPAC: 5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)iminomethyl]-1-[(4-fluorophenyl)methyl]-6-hydroxy-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of (E)-5-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)methylene)-1-(4-fluorobenzyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Property Insights of (E)-5-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)methylene)-1-(4-fluorobenzyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
The XLogP value of 3.34731 indicates that (E)-5-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)methylene)-1-(4-fluorobenzyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.31 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-5-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)methylene)-1-(4-fluorobenzyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione. Following Lipinski's Rule of Five, (E)-5-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)methylene)-1-(4-fluorobenzyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-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 (E)-5-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)methylene)-1-(4-fluorobenzyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The CAS number of (E)-5-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)methylene)-1-(4-fluorobenzyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 578748-98-8.
What is the molecular formula of (E)-5-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)methylene)-1-(4-fluorobenzyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular formula of (E)-5-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)methylene)-1-(4-fluorobenzyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is C23H20FN5O3S.
What is the molecular weight of (E)-5-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)methylene)-1-(4-fluorobenzyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular weight of (E)-5-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)methylene)-1-(4-fluorobenzyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 465.13 g/mol.
Where can I buy (E)-5-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)methylene)-1-(4-fluorobenzyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
You can request a quote for (E)-5-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)methylene)-1-(4-fluorobenzyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-5-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)methylene)-1-(4-fluorobenzyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (E)-5-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)methylene)-1-(4-fluorobenzyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.