RefChem:1069423
TL;DR: RefChem:1069423 (CAS 151921-12-9) is a chemical compound with molecular formula C26H24N6O4S and molecular weight 516.15796 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)-[(E)-3-phenylprop-2-enylidene]amino]-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-((3-phenyl-2-propenylidene)amino)-2-thioxo-, 1-[[[(1,5-Dimethyl-2-phenyl-3-oxo-2,3-dihydro-1H-pyrazol)-4-yl]amino]acetyl]-2-thioxo-3-[(3-phenyl-2-propenylidene)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-[(3-phenylprop-2-en-1-ylidene)amino]-2-sulfanylidene-1,3-diazinane-4,6-dione
Technical Specifications
| Molecular Formula | C26H24N6O4S |
| Molecular Weight | 516.15796 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 138.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 516.15796 Da |
| Heavy Atoms | 37 |
| Complexity | 1040.0 |
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NCC(=O)N3C(=O)CC(=O)N(C3=S)/N=C/C=C/C4=CC=CC=C4 |
| InChIKey | OJUWVIMJVHDRRB-GUNDNOKVSA-N |
Chemical Property Profile of RefChem:1069423
Property Insights of RefChem:1069423
The XLogP value of 3.6 indicates that RefChem:1069423 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1069423. Following Lipinski's Rule of Five, RefChem:1069423 has 1 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 RefChem:1069423?
The CAS number of RefChem:1069423 is 151921-12-9.
What is the molecular formula of RefChem:1069423?
The molecular formula of RefChem:1069423 is C26H24N6O4S.
What is the molecular weight of RefChem:1069423?
The molecular weight of RefChem:1069423 is 516.15796 g/mol.
Where can I buy RefChem:1069423?
You can request a quote for RefChem:1069423 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1069423?
Yes, CoreyChem provides custom synthesis services for RefChem:1069423 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.