Du 125530
TL;DR: Du 125530 (CAS 161612-21-1) is a chemical compound with molecular formula C23H26ClN3O5S and molecular weight 491.12817 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-[4-(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]butyl]-1,1-dioxo-1,2-benzothiazol-3-one
Also Known As: DU 125530, PDSP1_000932, PDSP2_000918, SID:312525258, 1,2-Benzisothiazol-3(2H)-one, 2-(4-(4-(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)-1-piperazinyl)butyl)-, 1,1-dioxide
Technical Specifications
| Molecular Formula | C23H26ClN3O5S |
| Molecular Weight | 491.12817 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 87.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 491.12817 Da |
| Heavy Atoms | 33 |
| Complexity | 800.0 |
| SMILES | C1CN(CCN1CCCCN2C(=O)C3=CC=CC=C3S2(=O)=O)C4=C5C(=CC(=C4)Cl)OCCO5 |
| InChIKey | LYXKFNHUJJDTIA-UHFFFAOYSA-N |
Chemical Property Profile of Du 125530
Property Insights of Du 125530
The XLogP value of 3.3 indicates that Du 125530 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Du 125530. Following Lipinski's Rule of Five, Du 125530 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Du 125530?
The CAS number of Du 125530 is 161612-21-1.
What is the molecular formula of Du 125530?
The molecular formula of Du 125530 is C23H26ClN3O5S.
What is the molecular weight of Du 125530?
The molecular weight of Du 125530 is 491.12817 g/mol.
Where can I buy Du 125530?
You can request a quote for Du 125530 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Du 125530?
Yes, CoreyChem provides custom synthesis services for Du 125530 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.