(Z)-1-allyl-5-(2-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)hydrazono)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
TL;DR: (Z)-1-allyl-5-(2-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)hydrazono)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 372084-72-5) is a chemical compound with molecular formula C18H18N6O3S and molecular weight 398.12 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)diazenyl]-6-hydroxy-1-prop-2-enyl-2-sulfanylidenepyrimidin-4-one
Also Known As: (Z)-1-allyl-5-(2-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)hydrazono)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, (5E)-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)hydrazinylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione, (5E)-5-[2-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)hydrazinylidene]-1-(prop-2-en-1-yl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione, (5Z)-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)hydrazinylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione, (5Z)-5-[2-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)hydrazinylidene]-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C18H18N6O3S |
|---|---|
| Molecular Weight | 398.12 g/mol |
| LogP | 3.01071 |
| Topological Polar Surface Area | 109.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 398.11612 |
| Heavy Atoms | 28 |
| Complexity | 1247.296 |
Chemical Identifiers
| CAS Number | 372084-72-5 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=NC3=C(N(C(=S)NC3=O)CC=C)O |
Product Overview
(Z)-1-allyl-5-(2-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)hydrazono)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 372084-72-5), with molecular formula C18H18N6O3S and molecular weight 398.12 g/mol. IUPAC: 5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)diazenyl]-6-hydroxy-1-prop-2-enyl-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of (Z)-1-allyl-5-(2-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)hydrazono)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Property Insights of (Z)-1-allyl-5-(2-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)hydrazono)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
The XLogP value of 3.01071 indicates that (Z)-1-allyl-5-(2-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)hydrazono)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.67 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-1-allyl-5-(2-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)hydrazono)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione. Following Lipinski's Rule of Five, (Z)-1-allyl-5-(2-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)hydrazono)-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 (Z)-1-allyl-5-(2-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)hydrazono)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The CAS number of (Z)-1-allyl-5-(2-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)hydrazono)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 372084-72-5.
What is the molecular formula of (Z)-1-allyl-5-(2-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)hydrazono)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular formula of (Z)-1-allyl-5-(2-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)hydrazono)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is C18H18N6O3S.
What is the molecular weight of (Z)-1-allyl-5-(2-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)hydrazono)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular weight of (Z)-1-allyl-5-(2-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)hydrazono)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 398.12 g/mol.
Where can I buy (Z)-1-allyl-5-(2-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)hydrazono)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
You can request a quote for (Z)-1-allyl-5-(2-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)hydrazono)-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 (Z)-1-allyl-5-(2-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)hydrazono)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (Z)-1-allyl-5-(2-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)hydrazono)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.