RefChem:239319
TL;DR: RefChem:239319 (CAS 116738-09-1) is a chemical compound with molecular formula C33H43N3O9S2 and molecular weight 689.2441 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-[4-(2-benzhydryloxyethyl)piperazin-1-yl]butyl]isoindole-1,3-dione;methanesulfonic acid
Also Known As: 9H-Carbazole,3-nitro-9-octyl, 1-(2-(Benzhydryloxy)ethyl)-4-(4-(phthalimido)butyl)piperazine dimethanesulfonate, 1H-Isoindole-1,3(2H)-dione, 2-(4-(4-(2-(diphenylmethoxy)ethyl)-1-piperazinyl)butyl)-, dimethanesulfonate, 2-[4-[4-(2-benzhydryloxyethyl)piperazin-1-yl]butyl]isoindole-1,3-dione,methanesulfonic acid, 2-(4-(4-(2-(DIPHENYLMETHOXY)ETHYL)-(PIPERAZIN-1-YL))BUTYL)-1H-ISOINDOLE-1,3(2H)-DIONE DIMETHANESULFONATE
Technical Specifications
| Molecular Formula | C33H43N3O9S2 |
| Molecular Weight | 689.2441 g/mol |
| XLogP | 3.4946 |
| Topological Polar Surface Area (TPSA) | 179.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 11 |
| Exact Mass | 689.2441 Da |
| Heavy Atoms | 47 |
| Complexity | 776.0 |
| SMILES | CS(=O)(=O)O.CS(=O)(=O)O.C1CN(CCN1CCCCN2C(=O)C3=CC=CC=C3C2=O)CCOC(C4=CC=CC=C4)C5=CC=CC=C5 |
| InChIKey | UZXQADWXZLMWIG-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:239319
Property Insights of RefChem:239319
The XLogP value of 3.4946 indicates that RefChem:239319 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 179.0 Ų indicates high polarity, suggesting RefChem:239319 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:239319 has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:239319?
The CAS number of RefChem:239319 is 116738-09-1.
What is the molecular formula of RefChem:239319?
The molecular formula of RefChem:239319 is C33H43N3O9S2.
What is the molecular weight of RefChem:239319?
The molecular weight of RefChem:239319 is 689.2441 g/mol.
Where can I buy RefChem:239319?
You can request a quote for RefChem:239319 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:239319?
Yes, CoreyChem provides custom synthesis services for RefChem:239319 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.