RefChem:1083361
TL;DR: RefChem:1083361 (CAS 155444-09-0) is a chemical compound with molecular formula C24H28N2O7S and molecular weight 488.1617 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-but-2-enedioic acid;6-methyl-11-(2-pyrrolidin-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-pyrrolidinyl)ethoxy)-, 5,5-dioxide(Z)-2-butenedioate (1:1), (E)-but-2-enedioic acid;6-methyl-11-(2-pyrrolidin-1-ylethoxy)-11H-benzo[c][1,2]benzothiazepine 5,5-dioxide, (E)-but-2-enedioic acid,6-methyl-11-(2-pyrrolidin-1-ylethoxy)-11H-benzo[c][1,2]benzothiazepine 5,5-dioxide, (E)-but-2-enedioic acid; 6-methyl-11-(2-pyrrolidin-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 | C24H28N2O7S |
| Molecular Weight | 488.1617 g/mol |
| XLogP | 2.7387 |
| Topological Polar Surface Area (TPSA) | 133.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 488.1617 Da |
| Heavy Atoms | 34 |
| Complexity | 689.0 |
| SMILES | CN1C2=CC=CC=C2C(C3=CC=CC=C3S1(=O)=O)OCCN4CCCC4.C(=C/C(=O)O)\C(=O)O |
| InChIKey | JOPYULOJQGTWIS-WLHGVMLRSA-N |
Chemical Property Profile of RefChem:1083361
Property Insights of RefChem:1083361
The XLogP value of 2.7387 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1083361. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1083361. Following Lipinski's Rule of Five, RefChem:1083361 has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:1083361?
The CAS number of RefChem:1083361 is 155444-09-0.
What is the molecular formula of RefChem:1083361?
The molecular formula of RefChem:1083361 is C24H28N2O7S.
What is the molecular weight of RefChem:1083361?
The molecular weight of RefChem:1083361 is 488.1617 g/mol.
Where can I buy RefChem:1083361?
You can request a quote for RefChem:1083361 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1083361?
Yes, CoreyChem provides custom synthesis services for RefChem:1083361 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.