(E)-1-allyl-5-(((2,3-dimethylcyclohexyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
TL;DR: (E)-1-allyl-5-(((2,3-dimethylcyclohexyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 1192740-67-2) is a chemical compound with molecular formula C16H23N3O2S and molecular weight 321.1511 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[(2,3-dimethylcyclohexyl)iminomethyl]-6-hydroxy-1-prop-2-enyl-2-sulfanylidenepyrimidin-4-one
Also Known As: (E)-1-allyl-5-(((2,3-dimethylcyclohexyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, (5E)-5-{[(2,3-dimethylcyclohexyl)amino]methylidene}-1-(prop-2-en-1-yl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione, 5-[[(2,3-dimethylcyclohexyl)amino]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Technical Specifications
| Molecular Formula | C16H23N3O2S |
| Molecular Weight | 321.1511 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 97.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 321.1511 Da |
| Heavy Atoms | 22 |
| Complexity | 542.0 |
| SMILES | CC1CCCC(C1C)N=CC2=C(N(C(=S)NC2=O)CC=C)O |
| InChIKey | PPHVPQGXSWGRRV-UHFFFAOYSA-N |
Chemical Property Profile of (E)-1-allyl-5-(((2,3-dimethylcyclohexyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Property Insights of (E)-1-allyl-5-(((2,3-dimethylcyclohexyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-1-allyl-5-(((2,3-dimethylcyclohexyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione. The TPSA of 97.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-1-allyl-5-(((2,3-dimethylcyclohexyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione. Following Lipinski's Rule of Five, (E)-1-allyl-5-(((2,3-dimethylcyclohexyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (E)-1-allyl-5-(((2,3-dimethylcyclohexyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The CAS number of (E)-1-allyl-5-(((2,3-dimethylcyclohexyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 1192740-67-2.
What is the molecular formula of (E)-1-allyl-5-(((2,3-dimethylcyclohexyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular formula of (E)-1-allyl-5-(((2,3-dimethylcyclohexyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is C16H23N3O2S.
What is the molecular weight of (E)-1-allyl-5-(((2,3-dimethylcyclohexyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular weight of (E)-1-allyl-5-(((2,3-dimethylcyclohexyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 321.1511 g/mol.
Where can I buy (E)-1-allyl-5-(((2,3-dimethylcyclohexyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
You can request a quote for (E)-1-allyl-5-(((2,3-dimethylcyclohexyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (E)-1-allyl-5-(((2,3-dimethylcyclohexyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
Yes, CoreyChem provides custom synthesis services for (E)-1-allyl-5-(((2,3-dimethylcyclohexyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.