(E)-5-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)methylene)-1-(2-methoxyphenyl)-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-(2-methoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 383372-76-7) is a chemical compound with molecular formula C23H21N5O4S and molecular weight 463.13 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]-6-hydroxy-1-(2-methoxyphenyl)-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-(2-methoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, (5E)-5-[[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]methylidene]-1-(2-methoxyphenyl)-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-(2-methoxyphenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione, (5Z)-5-[[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]methylidene]-1-(2-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione, (5Z)-5-{[(1,5-DIMETHYL-3-OXO-2-PHENYL-2,3-DIHYDRO-1H-PYRAZOL-4-YL)AMINO]METHYLIDENE}-1-(2-METHOXYPHENYL)-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE
| Molecular Formula | C23H21N5O4S |
|---|---|
| Molecular Weight | 463.13 g/mol |
| LogP | 3.15771 |
| Topological Polar Surface Area | 106.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 463.13144 |
| Heavy Atoms | 33 |
| Complexity | 1544.0482 |
Chemical Identifiers
| CAS Number | 383372-76-7 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=C(N(C(=S)NC3=O)C4=CC=CC=C4OC)O |
Product Overview
(E)-5-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)methylene)-1-(2-methoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 383372-76-7), with molecular formula C23H21N5O4S and molecular weight 463.13 g/mol. IUPAC: 5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)iminomethyl]-6-hydroxy-1-(2-methoxyphenyl)-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-(2-methoxyphenyl)-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-(2-methoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
The XLogP value of 3.15771 indicates that (E)-5-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)methylene)-1-(2-methoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.54 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-(2-methoxyphenyl)-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-(2-methoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione has 2 hydrogen bond donor(s) and 6 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-(2-methoxyphenyl)-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-(2-methoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 383372-76-7.
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-(2-methoxyphenyl)-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-(2-methoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is C23H21N5O4S.
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-(2-methoxyphenyl)-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-(2-methoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 463.13 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-(2-methoxyphenyl)-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-(2-methoxyphenyl)-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-(2-methoxyphenyl)-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-(2-methoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.