RefChem:1069422
TL;DR: RefChem:1069422 (CAS 151921-13-0) is a chemical compound with molecular formula C22H20N6O5S and molecular weight 480.12158 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]acetyl]-3-[(E)-furan-2-ylmethylideneamino]-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: 4,6(1H,5H)-Pyrimidinedione, dihydro-1-(((2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)amino)acetyl)-3-((2-furanylmethylene)amino)-2-thioxo-, 1-[[[(1,5-Dimethyl-2-phenyl-3-oxo-2,3-dihydro-1H-pyrazol)-4-yl]amino]acetyl]-2-thioxo-3-[(2-furanylmethylene)amino]dihydropyrimidine-4,6(1H,5H)-dione, 1-{2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]acetyl}-3-{[(furan-2-yl)methylidene]amino}-2-sulfanylidene-1,3-diazinane-4,6-dione
Technical Specifications
| Molecular Formula | C22H20N6O5S |
| Molecular Weight | 480.12158 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 151.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 480.12158 Da |
| Heavy Atoms | 34 |
| Complexity | 959.0 |
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NCC(=O)N3C(=O)CC(=O)N(C3=S)/N=C/C4=CC=CO4 |
| InChIKey | LAIQHNBYGRGZFA-WYMPLXKRSA-N |
Chemical Property Profile of RefChem:1069422
Property Insights of RefChem:1069422
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1069422. The TPSA of 151.0 Ų indicates high polarity, suggesting RefChem:1069422 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1069422 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:1069422?
The CAS number of RefChem:1069422 is 151921-13-0.
What is the molecular formula of RefChem:1069422?
The molecular formula of RefChem:1069422 is C22H20N6O5S.
What is the molecular weight of RefChem:1069422?
The molecular weight of RefChem:1069422 is 480.12158 g/mol.
Where can I buy RefChem:1069422?
You can request a quote for RefChem:1069422 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1069422?
Yes, CoreyChem provides custom synthesis services for RefChem:1069422 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.