RefChem:90074
TL;DR: RefChem:90074 (CAS 101389-34-8) is a chemical compound with molecular formula C23H28N4O6S and molecular weight 488.17294 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,1-dioxo-4,7,8,9-tetrahydro-[1,4]dioxepino[2,3-g][1,2,4]benzothiadiazin-3-one
Also Known As: 2H,7H-(1,4)Dioxepino(2,3-g)-1,2,4-benzothiadiazin-3(4H)-one, 8,9-dihydro-2-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-, 1,1-dioxide, 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,1-dioxo-4,7,8,9-tetrahydro-[1,4]dioxepino[2,3-g][1,2,4]benzothiadiazin-3-one, 2-{2-[4-(2-Methoxyphenyl)piperazin-1-yl]ethyl}-8,9-dihydro-7H-1lambda~6~-[1,4]dioxepino[2,3-g][1,2,4]benzothiadiazine-1,1,3(2H,4H)-trione, 2H,7H-(1,4)Dioxepino(2,3-g)-1,2,4-benzothiadiazin-3(4H)-one,8,9-dihydro-2-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-,1,1-dioxide, 2H,7H-[1,4]Dioxepino[2,3-g]-1,2,4-benzothiadiazin-3(4H)-one, 8,9-dihydro-2-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]-, 1,1-dioxide
Technical Specifications
| Molecular Formula | C23H28N4O6S |
| Molecular Weight | 488.17294 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 488.17294 Da |
| Heavy Atoms | 34 |
| Complexity | 815.0 |
| SMILES | COC1=CC=CC=C1N2CCN(CC2)CCN3C(=O)NC4=CC5=C(C=C4S3(=O)=O)OCCCO5 |
| InChIKey | XKOFWTSBRWQMHU-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:90074
Property Insights of RefChem:90074
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:90074. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:90074. Following Lipinski's Rule of Five, RefChem:90074 has 1 hydrogen bond donor(s) and 8 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:90074?
The CAS number of RefChem:90074 is 101389-34-8.
What is the molecular formula of RefChem:90074?
The molecular formula of RefChem:90074 is C23H28N4O6S.
What is the molecular weight of RefChem:90074?
The molecular weight of RefChem:90074 is 488.17294 g/mol.
Where can I buy RefChem:90074?
You can request a quote for RefChem:90074 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:90074?
Yes, CoreyChem provides custom synthesis services for RefChem:90074 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.