1,1'-(Phthalazine-1,4-diyldiazanediyl)bis(4-butyl-3-chloroazetidin-2-one)
TL;DR: 1,1'-(Phthalazine-1,4-diyldiazanediyl)bis(4-butyl-3-chloroazetidin-2-one) (CAS 139108-66-0) is a chemical compound with molecular formula C22H28Cl2N6O2 and molecular weight 478.16507 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-butyl-1-[[4-[(2-butyl-3-chloro-4-oxoazetidin-1-yl)amino]phthalazin-1-yl]amino]-3-chloroazetidin-2-one
Also Known As: 1,1'-(1,4-Phthalazinediyldiimino)bis(4-butyl-3-chloro-2-azetidinone), 2-Azetidinone, 1,1'-(1,4-phthalazinediyldiimino)bis(4-butyl-3-chloro-, 1,1'-(Phthalazine-1,4-diyldiazanediyl)bis(4-butyl-3-chloroazetidin-2-one), 1,1'-[Phthalazine-1,4-diylbis(azanediyl)]bis(4-butyl-3-chloroazetidin-2-one), 4-butyl-1-[[4-[(2-butyl-3-chloro-4-oxoazetidin-1-yl)amino]phthalazin-1-yl]amino]-3-chloroazetidin-2-one
Technical Specifications
| Molecular Formula | C22H28Cl2N6O2 |
| Molecular Weight | 478.16507 g/mol |
| XLogP | 5.7 |
| Topological Polar Surface Area (TPSA) | 90.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 478.16507 Da |
| Heavy Atoms | 32 |
| Complexity | 629.0 |
| SMILES | CCCCC1C(C(=O)N1NC2=NN=C(C3=CC=CC=C32)NN4C(C(C4=O)Cl)CCCC)Cl |
| InChIKey | ZLVVNRDUVLSKLK-UHFFFAOYSA-N |
Chemical Property Profile of 1,1'-(Phthalazine-1,4-diyldiazanediyl)bis(4-butyl-3-chloroazetidin-2-one)
Property Insights of 1,1'-(Phthalazine-1,4-diyldiazanediyl)bis(4-butyl-3-chloroazetidin-2-one)
The XLogP value of 5.7 indicates that 1,1'-(Phthalazine-1,4-diyldiazanediyl)bis(4-butyl-3-chloroazetidin-2-one) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1'-(Phthalazine-1,4-diyldiazanediyl)bis(4-butyl-3-chloroazetidin-2-one). Following Lipinski's Rule of Five, 1,1'-(Phthalazine-1,4-diyldiazanediyl)bis(4-butyl-3-chloroazetidin-2-one) has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1,1'-(Phthalazine-1,4-diyldiazanediyl)bis(4-butyl-3-chloroazetidin-2-one)?
The CAS number of 1,1'-(Phthalazine-1,4-diyldiazanediyl)bis(4-butyl-3-chloroazetidin-2-one) is 139108-66-0.
What is the molecular formula of 1,1'-(Phthalazine-1,4-diyldiazanediyl)bis(4-butyl-3-chloroazetidin-2-one)?
The molecular formula of 1,1'-(Phthalazine-1,4-diyldiazanediyl)bis(4-butyl-3-chloroazetidin-2-one) is C22H28Cl2N6O2.
What is the molecular weight of 1,1'-(Phthalazine-1,4-diyldiazanediyl)bis(4-butyl-3-chloroazetidin-2-one)?
The molecular weight of 1,1'-(Phthalazine-1,4-diyldiazanediyl)bis(4-butyl-3-chloroazetidin-2-one) is 478.16507 g/mol.
Where can I buy 1,1'-(Phthalazine-1,4-diyldiazanediyl)bis(4-butyl-3-chloroazetidin-2-one)?
You can request a quote for 1,1'-(Phthalazine-1,4-diyldiazanediyl)bis(4-butyl-3-chloroazetidin-2-one) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,1'-(Phthalazine-1,4-diyldiazanediyl)bis(4-butyl-3-chloroazetidin-2-one)?
Yes, CoreyChem provides custom synthesis services for 1,1'-(Phthalazine-1,4-diyldiazanediyl)bis(4-butyl-3-chloroazetidin-2-one) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.