RefChem:1056583
TL;DR: RefChem:1056583 (CAS 156810-09-2) is a chemical compound with molecular formula C56H58F2N4O6S2 and molecular weight 984.3766 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-but-2-enedioic acid;bis(2-[4-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)piperazin-1-yl]-1-(4-fluorophenyl)ethanol)
Also Known As: 1-Piperazineethanol, 4-(6,11-dihydrodibenzo(b,e)thiepin-11-yl)-alpha-(4-fluorophenyl)-, (E)-2-butenedioate (2:1) salt, (E)-but-2-enedioic acid; 2-[4-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)piperazin-1-yl]-1-(4-fluorophenyl)ethanol
Technical Specifications
| Molecular Formula | C56H58F2N4O6S2 |
| Molecular Weight | 984.3766 g/mol |
| XLogP | 9.4558 |
| Topological Polar Surface Area (TPSA) | 179.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 10 |
| Exact Mass | 984.3766 Da |
| Heavy Atoms | 70 |
| Complexity | 683.0 |
| SMILES | C1CN(CCN1CC(C2=CC=C(C=C2)F)O)C3C4=CC=CC=C4CSC5=CC=CC=C35.C1CN(CCN1CC(C2=CC=C(C=C2)F)O)C3C4=CC=CC=C4CSC5=CC=CC=C35.C(=C/C(=O)O)\C(=O)O |
| InChIKey | FIRWBVZRMVLCOM-WXXKFALUSA-N |
Chemical Property Profile of RefChem:1056583
Property Insights of RefChem:1056583
The XLogP value of 9.4558 indicates that RefChem:1056583 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 179.0 Ų indicates high polarity, suggesting RefChem:1056583 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1056583 has 4 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:1056583?
The CAS number of RefChem:1056583 is 156810-09-2.
What is the molecular formula of RefChem:1056583?
The molecular formula of RefChem:1056583 is C56H58F2N4O6S2.
What is the molecular weight of RefChem:1056583?
The molecular weight of RefChem:1056583 is 984.3766 g/mol.
Where can I buy RefChem:1056583?
You can request a quote for RefChem:1056583 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1056583?
Yes, CoreyChem provides custom synthesis services for RefChem:1056583 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.