1,1'-(Phthalazine-1,4-diyldiazanediyl)bis(3-chloro-4-hexylazetidin-2-one)
TL;DR: 1,1'-(Phthalazine-1,4-diyldiazanediyl)bis(3-chloro-4-hexylazetidin-2-one) (CAS 139108-65-9) is a chemical compound with molecular formula C26H36Cl2N6O2 and molecular weight 534.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-1-[[4-[(3-chloro-2-hexyl-4-oxoazetidin-1-yl)amino]phthalazin-1-yl]amino]-4-hexylazetidin-2-one
Also Known As: 1,1'-(1,4-Phthalazinediyldiimino)bis(3-chloro-4-hexyl-2-azetidinone), 2-Azetidinone, 1,1'-(1,4-phthalazinediyldiimino)bis(3-chloro-4-hexyl-, 1,1'-(Phthalazine-1,4-diyldiazanediyl)bis(3-chloro-4-hexylazetidin-2-one), 1,1'-[Phthalazine-1,4-diylbis(azanediyl)]bis(3-chloro-4-hexylazetidin-2-one), 3-chloro-1-[[4-[(3-chloro-2-hexyl-4-oxoazetidin-1-yl)amino]phthalazin-1-yl]amino]-4-hexylazetidin-2-one
| Molecular Formula | C26H36Cl2N6O2 |
|---|---|
| Molecular Weight | 534.23 g/mol |
| LogP | 5.8608 |
| Topological Polar Surface Area | 90.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 14 |
| Exact Mass | 534.22766 |
| Heavy Atoms | 36 |
| Complexity | 987.4062 |
Chemical Identifiers
| CAS Number | 139108-65-9 |
|---|---|
| SMILES | CCCCCCC1C(C(=O)N1NC2=NN=C(C3=CC=CC=C32)NN4C(C(C4=O)Cl)CCCCCC)Cl |
Product Overview
1,1'-(Phthalazine-1,4-diyldiazanediyl)bis(3-chloro-4-hexylazetidin-2-one) (CAS 139108-65-9), with molecular formula C26H36Cl2N6O2 and molecular weight 534.23 g/mol. IUPAC: 3-chloro-1-[[4-[(3-chloro-2-hexyl-4-oxoazetidin-1-yl)amino]phthalazin-1-yl]amino]-4-hexylazetidin-2-one.
Chemical Property Profile of 1,1'-(Phthalazine-1,4-diyldiazanediyl)bis(3-chloro-4-hexylazetidin-2-one)
Property Insights of 1,1'-(Phthalazine-1,4-diyldiazanediyl)bis(3-chloro-4-hexylazetidin-2-one)
The XLogP value of 5.8608 indicates that 1,1'-(Phthalazine-1,4-diyldiazanediyl)bis(3-chloro-4-hexylazetidin-2-one) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1'-(Phthalazine-1,4-diyldiazanediyl)bis(3-chloro-4-hexylazetidin-2-one). Following Lipinski's Rule of Five, 1,1'-(Phthalazine-1,4-diyldiazanediyl)bis(3-chloro-4-hexylazetidin-2-one) has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,1'-(Phthalazine-1,4-diyldiazanediyl)bis(3-chloro-4-hexylazetidin-2-one)?
The CAS number of 1,1'-(Phthalazine-1,4-diyldiazanediyl)bis(3-chloro-4-hexylazetidin-2-one) is 139108-65-9.
What is the molecular formula of 1,1'-(Phthalazine-1,4-diyldiazanediyl)bis(3-chloro-4-hexylazetidin-2-one)?
The molecular formula of 1,1'-(Phthalazine-1,4-diyldiazanediyl)bis(3-chloro-4-hexylazetidin-2-one) is C26H36Cl2N6O2.
What is the molecular weight of 1,1'-(Phthalazine-1,4-diyldiazanediyl)bis(3-chloro-4-hexylazetidin-2-one)?
The molecular weight of 1,1'-(Phthalazine-1,4-diyldiazanediyl)bis(3-chloro-4-hexylazetidin-2-one) is 534.23 g/mol.
Where can I buy 1,1'-(Phthalazine-1,4-diyldiazanediyl)bis(3-chloro-4-hexylazetidin-2-one)?
You can request a quote for 1,1'-(Phthalazine-1,4-diyldiazanediyl)bis(3-chloro-4-hexylazetidin-2-one) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1'-(Phthalazine-1,4-diyldiazanediyl)bis(3-chloro-4-hexylazetidin-2-one)?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-(Phthalazine-1,4-diyldiazanediyl)bis(3-chloro-4-hexylazetidin-2-one) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.