RefChem:1083359
TL;DR: RefChem:1083359 (CAS 155444-13-6) is a chemical compound with molecular formula C28H33N3O11S and molecular weight 619.1836 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis((E)-but-2-enedioic acid);6-methyl-11-(2-piperazin-1-ylethoxy)-11H-benzo[c][1,2]benzothiazepine 5,5-dioxide
Also Known As: Dibenzo(c,f)(1,2)thiazepine, 6,11-dihydro-6-methyl-11-(2-(1-piperazinyl)ethoxy)-, 5,5-dioxide,(Z)-2-butenedioate (1:1), (E)-but-2-enedioic acid;6-methyl-11-(2-piperazin-1-ylethoxy)-11H-benzo[c][1,2]benzothiazepine 5,5-dioxide, (E)-but-2-enedioic acid,6-methyl-11-(2-piperazin-1-ylethoxy)-11H-benzo[c][1,2]benzothiazepine 5,5-dioxide, (E)-but-2-enedioic acid; 6-methyl-11-(2-piperazin-1-ylethoxy)-11H-benzo[c][1,2]benzothiazepine 5,5-dioxide, Dibenzo(c,f)(1,2)thiazepine,6,11-dihydro-6-methyl-11-(2-(1-pyrrolidinyl)ethoxy)-,5,5-dioxide(Z)-2-butenedioate (1:1)
Technical Specifications
| Molecular Formula | C28H33N3O11S |
| Molecular Weight | 619.1836 g/mol |
| XLogP | 1.2599 |
| Topological Polar Surface Area (TPSA) | 219.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 8 |
| Exact Mass | 619.1836 Da |
| Heavy Atoms | 43 |
| Complexity | 707.0 |
| SMILES | CN1S(=O)(=O)C2=CC=CC=C2C(C3=CC=CC=C13)OCCN4CCNCC4.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
| InChIKey | FOTPXIFZQCBAQM-LVEZLNDCSA-N |
Chemical Property Profile of RefChem:1083359
Property Insights of RefChem:1083359
The XLogP value of 1.2599 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1083359. The TPSA of 219.0 Ų indicates high polarity, suggesting RefChem:1083359 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1083359 has 5 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:1083359?
The CAS number of RefChem:1083359 is 155444-13-6.
What is the molecular formula of RefChem:1083359?
The molecular formula of RefChem:1083359 is C28H33N3O11S.
What is the molecular weight of RefChem:1083359?
The molecular weight of RefChem:1083359 is 619.1836 g/mol.
Where can I buy RefChem:1083359?
You can request a quote for RefChem:1083359 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1083359?
Yes, CoreyChem provides custom synthesis services for RefChem:1083359 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.