RefChem:1069444
TL;DR: RefChem:1069444 (CAS 151921-16-3) is a chemical compound with molecular formula C28H25ClN6O5S and molecular weight 592.1296 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[3-chloro-2-oxo-4-[(E)-2-phenylethenyl]azetidin-1-yl]-3-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]acetyl]-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: 4,6(1H,5H)-Pyrimidinedione, dihydro-1-(3-chloro-2-oxo-4-(2-phenylethenyl)-1-azetidinyl)-3-(((2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)amino)acetyl)-2-thioxo-, 1-[[[(1,5-Dimethyl-2-phenyl-3-oxo-2,3-dihydro-1H-pyrazol)-4-yl]amino]acetyl]-2-thioxo-3-(2-oxo-3-chloro-4-styrylazetidin-1-yl)dihydropyrimidine-4,6(1H,5H)-dione, 1-[3-chloro-2-oxo-4-(2-phenylethenyl)azetidin-1-yl]-3-{2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]acetyl}-2-sulfanylidene-1,3-diazinane-4,6-dione, 1-[3-chloro-2-oxo-4-[(E)-2-phenylethenyl]azetidin-1-yl]-3-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]acetyl]-2-sulfanylidene-1,3-diazinane-4,6-dione
Technical Specifications
| Molecular Formula | C28H25ClN6O5S |
| Molecular Weight | 592.1296 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 146.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 592.1296 Da |
| Heavy Atoms | 41 |
| Complexity | 1210.0 |
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NCC(=O)N3C(=O)CC(=O)N(C3=S)N4C(C(C4=O)Cl)/C=C/C5=CC=CC=C5 |
| InChIKey | MYFYUCXXFLQDLV-BUHFOSPRSA-N |
Chemical Property Profile of RefChem:1069444
Property Insights of RefChem:1069444
The XLogP value of 3.9 indicates that RefChem:1069444 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 146.0 Ų indicates high polarity, suggesting RefChem:1069444 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1069444 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:1069444?
The CAS number of RefChem:1069444 is 151921-16-3.
What is the molecular formula of RefChem:1069444?
The molecular formula of RefChem:1069444 is C28H25ClN6O5S.
What is the molecular weight of RefChem:1069444?
The molecular weight of RefChem:1069444 is 592.1296 g/mol.
Where can I buy RefChem:1069444?
You can request a quote for RefChem:1069444 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1069444?
Yes, CoreyChem provides custom synthesis services for RefChem:1069444 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.